Angular furanocoumarins

Description:

Furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Coumarins and derivatives ⮕ Furanocoumarins ⮕ Angular furanocoumarins

Aflatoxin Quality Control Sample,From corn
- 3.73±0.75 μg/kg
Cas Number: 1162-65-8

Formula: C₁₇H₁₂O₆ Molecular Weight: 312.27

IUPAC Name: (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1

InChIKey: OQIQSTLJSLGHID-WNWIJWBNSA-N

InChI: InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1
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Sphondin
- ≥97%
Cas Number: 483-66-9 Compound CID: 108104

Formula: C₁₂H₈O₄ Molecular Weight: 216.19

IUPAC Name: 6-methoxyfuro[2,3-h]chromen-2-one

SMILES: COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2

InChIKey: DLCJNIBLOSKIQW-UHFFFAOYSA-N

InChI: InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3
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(+)-Columbianetin acetate
- ≥99%
Cas Number: 23180-65-6 Compound CID: 161409

Formula: C₁₆H₁₆O₅ Molecular Weight: 288.3

IUPAC Name: 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate

SMILES: CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3

InChIKey: IQTTZQQJJBEAIM-ZDUSSCGKSA-N

InChI: InChI=1S/C16H16O5/c1-9(17)21-16(2,3)13-8-11-12(19-13)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3/t13-/m0/s1

Synonyms: O-Acetylcolumbianetin | 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate | HC3XTC3R4W | CHEBI:132...
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(+)-Columbianetin
- ≥99%
Cas Number: 3804-70-4 Compound CID: 92201

Formula: C₁₄H₁₄O₄ Molecular Weight: 246.26

IUPAC Name: (8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one

SMILES: CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O

InChIKey: YRAQEMCYCSSHJG-NSHDSACASA-N

InChI: InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1

Synonyms: (+)-columbianetin | 2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, (S)- | CHEBI:437678 ...
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Pimpinellin
- ≥98%
Cas Number: 131-12-4 Compound CID: 4825

Formula: C₁₃H₁₀O₅ Molecular Weight: 246.22

IUPAC Name: 5,6-dimethoxyfuro[2,3-h]chromen-2-one

SMILES: COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC

InChIKey: BQPRWZCEKZLBHL-UHFFFAOYSA-N

InChI: InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3

Synonyms: AKOS000277261 | PIMPINELLIN [MI] | KBio2_000897 | 2H-Furo[2,3-h]-1-benzopyran-2-one, 5,6-dimethoxy- | NINDS_001025 | ...
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Pimpinellin
- 10mM in DMSO
Cas Number: 131-12-4 Compound CID: 4825

Formula: C₁₃H₁₀O₅ Molecular Weight: 246.22

IUPAC Name: 5,6-dimethoxyfuro[2,3-h]chromen-2-one

SMILES: COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC

InChIKey: BQPRWZCEKZLBHL-UHFFFAOYSA-N

InChI: InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3

Synonyms: pimpinellin|131-12-4|5,6-Dimethoxy-2H-furo[2,3-H]chromen-2-one|5,6-dimethoxyfuro[2,3-h]chromen-2-one|Pimpinecilin|Pim...
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Isobergapten
- 10mM in DMSO
Cas Number: 482-48-4

Formula: C₁₂H₈O₄ Molecular Weight: 216.19

IUPAC Name: 5-methoxyfuro[2,3-h]chromen-2-one

SMILES: COC1=C2C=CC(=O)OC2=C3C=COC3=C1

InChIKey: AJSPSRWWZBBIOR-UHFFFAOYSA-N

InChI: InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3

Synonyms: Isobergapten|482-48-4|Isobergaptene|5-Methoxy-2H-furo[2,3-H]chromen-2-one|5-methoxyfuro[2,3-h]chromen-2-one|5-Methoxy...
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Columbianadin
- 10mM in DMSO
Cas Number: 5058-13-9

Formula: C₁₉H₂₀O₅ Molecular Weight: 328.36

IUPAC Name: 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate

SMILES: CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3

InChIKey: JRIBPWOXWIRQOQ-GHAIFCDISA-N

InChI: InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1

Synonyms: Columbianadin|5058-13-9|Zosimin|(S)-2-(2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-eno...
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Angelicin
- 10mM in DMSO
Cas Number: 523-50-2

Formula: C₁₁H₆O₃ Molecular Weight: 186.16

IUPAC Name: furo[2,3-h]chromen-2-one

SMILES: C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

InChIKey: XDROKJSWHURZGO-UHFFFAOYSA-N

InChI: InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H

Synonyms: Angelicin|523-50-2|ISOPSORALEN|2H-Furo[2,3-H]chromen-2-one|furo[2,3-h]chromen-2-one|Angecin|2-Oxo-(2H)-furo(2,3-h)-1-...
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Aflatoxin M2
- ≥98%(HPLC)
Cas Number: 6885-57-0

Formula: C₁₇H₁₄O₇ Molecular Weight: 330.29

IUPAC Name: 3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione

SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(CCO5)O

InChIKey: OQLKWHFMUPJCJY-UHFFFAOYSA-N

InChI: InChI=1S/C17H14O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h6,16,20H,2-5H2,1H3

Synonyms: AFLATOXIN M2|6885-57-0|Aflatoxin M2-d3|2,3,6a,8,9,9a-Hexahydro-9a-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2...
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Aflatoxin M1 Quality Control Sample
- 0.5ppb(±0.02ppb)
Cas Number: 6795-23-9 EC Number: 229-865-4

Formula: C₁₇H₁₂O₇ Molecular Weight: 328.27

IUPAC Name: (3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O

InChIKey: MJBWDEQAUQTVKK-IAGOWNOFSA-N

InChI: InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1

Synonyms: AFLATOXIN M1|6795-23-9|4-Hydroxyaflatoxin B1|25325-49-9|I3020O28I3|(3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyc...
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Aflatoxin M1
- ≥98%(HPLC)
Cas Number: 6795-23-9 EC Number: 229-865-4

Formula: C₁₇H₁₂O₇ Molecular Weight: 328.27

IUPAC Name: (3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O

InChIKey: MJBWDEQAUQTVKK-IAGOWNOFSA-N

InChI: InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1

Synonyms: AFLATOXIN M1|6795-23-9|4-Hydroxyaflatoxin B1|25325-49-9|I3020O28I3|(3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyc...
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