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Search results for: '888-12-0'
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N-lauroyl-1-deoxysphinganine (m18:0/12:0)
Cas Number: 1246298-40-7Formula: C30H61NO2Molecular weight: 467.811Synonyms: N-dodecanoyl-1-deoxysphinganine (m18:0/12:0)N-C12-1-deoxyDHCerSMILES: CCCCCCCCCCCCCCCC(C(C)NC(=O)CCCCCCCCCCC)OInChIKey: DQGYOBJTRPLKRT-URLMMPGGSA-NInChI: InChI=1S/C30H61NO2/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-29(32)28(3)31-30(33)27-25-23-21-18-13-11-9-7-5-2/h28-29,32H,4-27H2,1-3H3,(H,31,33)/t28-,29+/m0/s1
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N-lauroyl-1-desoxymethylsphinganine (m17:0/12:0)
Cas Number: 1246298-41-8Formula: C29H59NO2Molecular weight: 453.784Synonyms: N-dodecanoyl-1-desoxymethylsphinganine (m17:0/12:0)N-C12-1-desoxyMeDHCerSMILES: CCCCCCCCCCCCCCCC(CNC(=O)CCCCCCCCCCC)OInChIKey: WTQWTKLHSAHXCK-MUUNZHRXSA-NInChI: InChI=1S/C29H59NO2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-28(31)27-30-29(32)26-24-22-20-17-12-10-8-6-4-2/h28,31H,3-27H2,1-2H3,(H,30,32)/t28-/m1/s1
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N-lauroyl-1-deoxysphingosine (m18:1/12:0)
Cas Number: 1246298-54-3Formula: C30H59NO2Molecular weight: 465.795Synonyms: N-dodecanoyl-1-deoxysphing-4-enine (m18:1/12:0)N-C12-1-deoxyCerSMILES: CCCCCCCCCCCCCC=CC(C(C)NC(=O)CCCCCCCCCCC)OInChIKey: CVVBKHCRYODUEU-WDLVWQCFSA-NInChI: InChI=1S/C30H59NO2/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-29(32)28(3)31-30(33)27-25-23-21-18-13-11-9-7-5-2/h24,26,28-29,32H,4-23,25,27H2,1-3H3,(H,31,33)/b26-24+/t28-,29+/m0/s1
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N-lauroyl-1-desoxymethylsphingosine (m17:1/12:0)
Cas Number: 1246298-55-4Formula: C29H57NO2Molecular weight: 451.768Synonyms: N-dodecanoyl-1-desoxymethylsphing-3-enine (m17:1/12:0)N-C12-1-desoxyMeCerSMILES: CCCCCCCCCCCCCC=CC(CNC(=O)CCCCCCCCCCC)OInChIKey: NQTIAYDGVUCKFJ-KSPVXFDASA-NInChI: InChI=1S/C29H57NO2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-28(31)27-30-29(32)26-24-22-20-17-12-10-8-6-4-2/h23,25,28,31H,3-22,24,26-27H2,1-2H3,(H,30,32)/b25-23+/t28-/m1/s1
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(1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-diene-11,16-dione
Cas Number: 216453-74-6Formula: C25H32O6Molecular weight: 428.5SMILES: [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])C(=O)C[C@]3(C)[C@@]1(OC(CCC)O2)C(=O)COInChIKey: NTERSHSWHLAIHV-ADKFLVHOSA-NInChI: InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-17,20-22,26H,4-7,11-13H2,1-3H3/t16-,17-,20+,21?,22+,23-,24-,25+/m0/s1
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(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5,7-dioxapentacyclo[10.8.0.0²⁹.0⁴⁸.0¹³¹⁸]icosa-14,17-dien-16-one
Cas Number: 1040085-98-0Formula: C23H30O6Molecular weight: 402.48SMILES: OCC(=O)[C@]12[C@]3(C)[C@](C[C@@]1([H])OC(C)O2)([H])[C@@]4([H])[C@@]([C@@H](O)C3)([H])[C@]5(C)C(=CC(=O)C=C5)CC4InChIKey: XECSEFPWNHDQPG-XWCIIUPVSA-NInChI: InChI=1S/C23H30O6/c1-12-28-19-9-16-15-5-4-13-8-14(25)6-7-21(13,2)20(15)17(26)10-22(16,3)23(19,29-12)18(27)11-24/h6-8,12,15-17,19-20,24,26H,4-5,9-11H2,1-3H3/t12?,15-,16-,17-,19+,20+,21-,22-,23+/m0/s1
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13-(4-methoxyphenyl)-10-thia-3,8,13,15-tetraazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2(6),7,14-tetraen-12-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 11cSMILES: COc1ccc(cc1)N1C=NC2C(C1=O)Sc1c2c2NCCc2cn1InChIKey: SIUQQICXQVLRLA-UHFFFAOYSA-NInChI: InChI=1S/C18H16N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,15-16,19H,6-7H2,1H3
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(E)-2′-Hydroxychalcone
Cas Number: 888-12-0Formula: C15H12O2Molecular weight: 224.25Synonyms: BRD-K52053379-001-02-0 | MFCD00016441 | (E)-2'-Hydroxychalcone | SMR000112946 | NCGC00017803-06 | NS...SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2OInChIKey: AETKQQBRKSELEL-ZHACJKMWSA-NInChI: InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+
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Uvaol
Cas Number: 545-46-0Formula: C30H50O2Molecular weight: 442.72Synonyms: Uvaol|545-46-0|Urs-12-ene-3,28-diol|Urs-12-ene-3beta,28-diol|Urs-12-ene-3,28-diol, (3b)-|CHEMBL39987...SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)COInChIKey: XUARCIYIVXVTAE-ZAPOICBTSA-NInChI: See more
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1,2-dilauroyl-sn-glycero-3-phosphoethanolamine
Cas Number: 59752-57-7 EC Number: 261-912-4Formula: C29H58NO8PMolecular weight: 579.746Synonyms: 12:0 PE | DLPE | PE(12:0/12:0) | beta,gamma-Dilauroyl-L-alpha-phosphatidylethanolamine | UNII-D1O2S8...SMILES: CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCInChIKey: ZLGYVWRJIZPQMM-HHHXNRCGSA-NInChI: InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1
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1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (1,4-naphthoquinone)palladium(0) dimer
Cas Number: 467220-49-1Formula: C62H60N4O4Pd2Molecular weight: 1138Synonyms: Naphthoquinone-1,3-bis(2,4,6-trimethylphenyl)-imidazole-2-ylidenepalladium(0), CX 12 | Pd(0)-naphtho...SMILES: CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.C1=CC=C2C(=O)C=CC(=O)C2=C1.C1=CC=C2C(=O)C=CC(=O)C2=C1InChIKey: ZTBFODSKEBBIJJ-UHFFFAOYSA-NInChI: InChI=1S/2C21H24N2.2C10H6O2.2Pd/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h2*7-12H,1-6H3;2*1-6H;;
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12S-[³H]HETE, Agonist of GPR31
Synonyms: 12(S)-HETE|54397-83-0|12S-HETE|CHEBI:34146|(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic ...SMILES: CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OInChIKey: ZNHVWPKMFKADKW-LQWMCKPYSA-NInChI: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
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2,3-dihydrobenzofuran-6-carboxamide
Cas Number: 1379329-12-0Formula: C9H9NO2Molecular weight: 163.17Synonyms: 2,3-Dihydrobenzofuran-6-carboxamide | 1379329-12-0 | SCHEMBL4320180 | F89882SMILES: C1COC2=C1C=CC(=C2)C(=O)NInChIKey: LSWNXPDKWNZPBD-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO2/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-2,5H,3-4H2,(H2,10,11)
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lauric acid lauryl ester
Cas Number: 13945-76-1Formula: C24H48O2Molecular weight: 368.64Synonyms: cis-EpoxysuccinicAcid | WE(12:0/12:0) | LMFA07010031 | F87107 | AS-80296 | DTXSID6065684 | EINECS 23...SMILES: CCCCCCCCCCCCOC(=O)CCCCCCCCCCCInChIKey: CYUUZGXOQDCCGH-UHFFFAOYSA-NInChI: InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
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(11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-1-naphthalenyl-5-oxide-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin
Cas Number: 1297613-73-0Formula: C37H27O4PMolecular weight: 566.6Synonyms: 1297613-73-0 | 12-Hydroxy-1,10-di(naphthalen-1-yl)-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2...SMILES: C1CC23CCC4=C2C(=C(C=C4)C5=CC=CC6=CC=CC=C65)OP(=O)(OC7=C(C=CC1=C37)C8=CC=CC9=CC=CC=C98)OInChIKey: UFZPMUOQEHOLDQ-UHFFFAOYSA-NInChI: InChI=1S/C37H27O4P/c38-42(39)40-35-31(29-13-5-9-23-7-1-3-11-27(23)29)17-15-25-19-21-37(33(25)35)22-20-26-16-18-32(36(41-42)34(26)37)30-14-6-10-24-8-2-4-12-28(24)30/h1-18H,19-22H2,(H,38,39)
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(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-1-naphthalenyl-5-oxide-diindeno[7,1-de:1'',7''-fg] [1,3,2]dioxaphosphocin 98%,(99% ee)
Cas Number: 1258327-08-0Formula: C37H27O4PMolecular weight: 566.6Synonyms: 1297613-73-0 | 12-Hydroxy-1,10-di(naphthalen-1-yl)-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2...SMILES: C1CC23CCC4=C2C(=C(C=C4)C5=CC=CC6=CC=CC=C65)OP(=O)(OC7=C(C=CC1=C37)C8=CC=CC9=CC=CC=C98)OInChIKey: UFZPMUOQEHOLDQ-UHFFFAOYSA-NInChI: InChI=1S/C37H27O4P/c38-42(39)40-35-31(29-13-5-9-23-7-1-3-11-27(23)29)17-15-25-19-21-37(33(25)35)22-20-26-16-18-32(36(41-42)34(26)37)30-14-6-10-24-8-2-4-12-28(24)30/h1-18H,19-22H2,(H,38,39)
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Coumarin 478
Cas Number: 41175-45-5Formula: C18H19NO2Molecular weight: 281.36Synonyms: 2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta(3,4)(1)benzopyrano(6,7,8-ij)quinolizin-12(9H)-one | NSC2904...SMILES: C1CC2=C(C1)C(=O)OC3=C2C=C4CCCN5C4=C3CCC5InChIKey: LLSRPENMALNOFW-UHFFFAOYSA-NInChI: InChI=1S/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2
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14-(4-chlorophenyl)-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 23eSMILES: Clc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1InChIKey: FODONWGPMXPGNC-UHFFFAOYSA-NInChI: InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2
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(5R)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 23iSMILES: C[C@@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)ClInChIKey: LFUPTQIEOBBAJE-SECBINFHSA-NInChI: InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1
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(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.0⁵¹⁶.0¹º¹⁵]hexadeca-5,7,9(16)-triene
Cas Number: 313368-85-3Formula: C14H19N3Molecular weight: 229.32Synonyms: (6bR,10aS)-3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline |...SMILES: CN1CCN2C3CCNCC3C4=C2C1=CC=C4InChIKey: QLGUCSLWLPCOTR-RYUDHWBXSA-NInChI: InChI=1S/C14H19N3/c1-16-7-8-17-12-5-6-15-9-11(12)10-3-2-4-13(16)14(10)17/h2-4,11-12,15H,5-9H2,1H3/t11-,12-/m0/s1
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14-(4-methoxyphenyl)-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 23cSMILES: COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1InChIKey: KUCDOJMOTMEEOF-UHFFFAOYSA-NInChI: InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3
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(5S)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 23hSMILES: C[C@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)ClInChIKey: LFUPTQIEOBBAJE-VIFPVBQESA-NInChI: InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1
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Cacotheline Monohydrate
Cas Number: 561-20-6Formula: C21H21N3O7·HNO3·H2OMolecular weight: 490.43Synonyms: 17-Norcuran-16-propanoic acid, 19,20-didehydro-.beta.,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, ...SMILES: C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)OInChIKey: IVEMPCACOMNRGI-OFDJEBHLSA-NInChI: InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/t10-,13-,14-,16-,20-,21+/m0/s1
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Absinthin, Agonist of TAS2R30;Agonist of TAS2R46
Cas Number: 1362-42-1Formula: C30H40O6Molecular weight: 496.64Synonyms: Absinthin|1362-42-1|Absinthiin|Absynthin|(+)-absinthin|OE5992O64P|(1R,2R,5S,8S,9S,12S,13R,14S,15S,16...SMILES: CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)OInChIKey: PZHWYURJZAPXAN-ILOFNVQHSA-NInChI: See more
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