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Basic Description
| Synonyms | sulforaphane | 4478-93-7 | DL-Sulforaphane | 1-Isothiocyanato-4-(methylsulfinyl)butane | Sulforafan | D,L-Sulforaphane | 1-Isothiocyanato-4-(methylsulfinyl)-butane | 1-isothiocyanato-4-methylsulfinylbutane | Butane, 1-isothiocyanato-4-(methylsulfinyl)- | (+/-)-sulforaphane |
|---|---|
| Specifications & Purity | Moligand™, 10mM in DMSO |
| Biochemical and Physiological Mechanisms | Selective inducers of phase II detoxifying enzymes with anticancer properties.Organosulfur compounds found in cruciferous vegetables, including broccoli. Sulforaphane is an anticancer, antimicrobial and antidiabetic compound found in cruciferous vegetabl |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
| Product Description |
Product Introduction Sulforaphane is a naturally occurring isothiocyanate found in cruciferous vegetables such as broccoli, cabbage, kale.It is an inducer of Nrf2.Sulforaphane is also an inhibitor of histone deacetylase (HDAC) and NF - κ B.Sulforaphane increases heme oxygenase-1 (HO-1) and decreases the levels of reactive oxygen species (ROS).Sulforaphane induces cell cycle arrest and apoptosis. Application LNCaP prostate cancer cells were treated with DL sulforaphane to investigate its effect on androgen receptor.Treatment of rats with DL sulforaphane was used to study its effect on malathion toxicity. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organosulfur compounds
- Class Sulfoxides
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Superclass
Organosulfur compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Sulfoxides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfoxides |
| Alternative Parents | Isothiocyanates Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Sulfoxide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H). |
| External Descriptors | sulfoxide - isothiocyanate |
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Associated Targets(Human)
NFE2L2
Tchem
Nuclear factor erythroid 2-related factor 2 (2 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
EGFR
Tclin
Epidermal growth factor receptor erbB1 (33727 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAOA
Tclin
Monoamine oxidase A (11911 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MAOB
Tclin
Monoamine oxidase B (8835 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MIF
Tchem
Macrophage migration inhibitory factor (979 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
AHR
Tclin
Aryl hydrocarbon receptor (1071 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP1A1
Tchem
Cytochrome P450 1A1 (1169 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PTPN11
Tchem
Protein-tyrosine phosphatase 2C (2297 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TGM2
Tchem
Protein-glutamine gamma-glutamyltransferase (1221 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NQO1
Tchem
Quinone reductase 1 (1746 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TP53
Tchem
Cellular tumor antigen p53 (48468 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Homo sapiens (32628 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A-375 (9258 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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AGS (1999 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Caco-2 (12174 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CCRF-CEM (65223 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
DU-145 (51482 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
LoVo (4724 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MCF7 (126967 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NCI-H1975 (4994 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
OVCAR-3 (48710 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PANC-1 (6144 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PC-3 (62116 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SGC-7901 (2773 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SiHa (2051 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SW480 (6023 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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THP-1 (11052 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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U-251 (51189 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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U-937 (7138 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A549 (127892 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A-431 (6446 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NCI-H1299 (3248 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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HCT-116 (91556 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HONE1 cell line (118 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HepG2 (196354 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NCI-H460 (60772 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Jurkat (10389 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PC-9 (1037 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HeLa (62764 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MDA-MB-231 (73002 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SMMC-7721 (5516 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ABCC2
Tchem
Canalicular multispecific organic anion transporter 1 (1191 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NCI-H1650 (1118 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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KEAP1
Tclin
Kelch-like ECH-associated protein 1 (1736 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ARPE-19 (321 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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HCC827 (1172 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Hep 3B2 (2332 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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L02 (4864 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PNT1A (47 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAFK
Tbio
BACH1/MafK (2 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Nos2
Nitric oxide synthase, inducible (3573 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Hdac6
Histone deacetylase 6 (222 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Ptpn1
Protein-tyrosine phosphatase 1B (270 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Cryz
Quinone oxidoreductase (288 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Pseudomonas aeruginosa (123386 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Leishmania infantum (5912 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Leishmania donovani (89745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Trypanosoma cruzi (99888 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rattus norvegicus (775804 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
LLC-PK1 (2135 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MDCK (10148 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MEF (1005 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Vero (26788 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nqo1
NAD(P)H dehydrogenase [quinone] 1 (1058 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
lasR
Transcriptional activator protein lasR (432 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
rhlR
Regulatory protein RhlR (305 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nfe2l2
KEAP1/NRF2 (17 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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HBZY-1 (111 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 1-isothiocyanato-4-methylsulfinylbutane |
|---|---|
| INCHI | InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 |
| InChIKey | SUVMJBTUFCVSAD-UHFFFAOYSA-N |
| Smiles | CS(=O)CCCCN=C=S |
| Isomeric SMILES | CS(=O)CCCCN=C=S |
| WGK Germany | 3 |
| Molecular Weight | 177.29 |
| Reaxy-Rn | 1723237 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723237&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Moisture & light sensitive |
|---|---|
| Molecular Weight | 177.300 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 177.028 Da |
| Monoisotopic Mass | 177.028 Da |
| Topological Polar Surface Area | 80.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 152.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Ao-Chun Yue, Xu-Dong Zhou, Hui-Ping Song, Xu-Han Liu, Ming-Jun Bi, Wei Han, Qin Li. (2023) Effect and molecular mechanism of Sulforaphane alleviates brain damage caused by acute carbon monoxide poisoning:Network pharmacology analysis, molecular docking, and experimental evidence. ENVIRONMENTAL TOXICOLOGY, |
| 2. Guangyang Liu, Xuan Zhang, Jian Wang, Lingyun Li, Jiayong Cao, Chen Yin, Yuan Liu, Ge Chen, Jun Lv, Xiaomin Xu, Jing Wang, Xiaodong Huang, Donghui Xu. (2024) Facile preparation of biomimetic mineralized COFs based on magnetic silk fibroin and its effective extraction of sulforaphane from cruciferous vegetables. FOOD CHEMISTRY, 434 (137482). |
| 3. Linlin Jia, Xiaoqiang Peng, Zeyuan Deng, Bing Zhang, Hongyan Li. (2023) The structural characterization of polysaccharides from three cultivars of Moringa oleifera Lam. root and their effects on human intestinal microflora. Food Bioscience, 52 (102482). |
| 4. Wenxiu Zheng, Wenhao Wang, Desheng Fu, Tianyu Zhang, Zhengrui Liang, Ling Yan, Changhong Liu, Lei Zheng. (2023) Microwave bag cooking affects the quality, glucosinolates content and hydrolysate production of broccoli florets. FOOD RESEARCH INTERNATIONAL, 164 (112401). |
| 5. Qi Zhang, Wanshuang Cao, Chenying Yang, Lixia Hong, Shanshan Geng, Hongyu Han, Caiyun Zhong. (2023) Isothiocyanates attenuate immune checkpoint blockage therapy in gastric cancer via induction of PD-L1 expression. JOURNAL OF NUTRITIONAL BIOCHEMISTRY, 112 (109226). |
| 6. Shaoqing Chen, Ziyu Wang, Li Liu, Yuting Li, Xinye Ni, Hong Yuan, Cheng Wang. (2022) Redox homeostasis modulation using theranostic AIE nanoparticles results in positive-feedback drug accumulation and enhanced drug penetration to combat drug-resistant cancer. Materials Today Bio, 16 (100396). |
| 7. Yun Liu, Xue Wang, Bo Si, Tong Wang, Yun Wu, Ying Liu, Yemian Zhou, Haiyang Tong, Xinwei Zheng, An Xu. (2022) Zinc oxide/graphene oxide nanocomposites efficiently inhibited cadmium-induced hepatotoxicity via releasing Zn ions and up-regulating MRP1 expression. ENVIRONMENT INTERNATIONAL, 165 (107327). |
| 8. Xi Zhao, Zhenhua Liu, Jie Gao, Hu Li, Xiaorong Wang, Yinchuan Li, Fei Sun. (2020) Inhibition of ferroptosis attenuates busulfan-induced oligospermia in mice. TOXICOLOGY, 440 (152489). |
| 9. Xianghui Huang, Jia Xu, Ye Xu, Bingxin Huangfu, Feng Zhang, Yanzhou Hu, Ruxin Gao, Xinxin Ren, Boyang Zhang, Kunlun Huang, Xiaoyun He. (2024) Sulforaphane ameliorates non-alcoholic steatohepatitis by KLF4-mediated macrophage M2 polarization. Food Science and Human Wellness, 13 (2727). |
| 10. Qilei Wang, Zhenzhen Feng, Chan Shi, Xingang Lyu, DaiDi Fan. (2024) Sulforaphane nanoparticles coated with zein-propylene glycol alginate attenuate N-diethylnitrosamine-induced liver injury in mice. JOURNAL OF FOOD SCIENCE, 89 (10): (6707-6719). |
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