2,3-DIHYDRO-2,3-DIHYDROXYAFLATOXIN B1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H14O8
Molecular Weight	346.2883
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,3-DIHYDRO-2,3-DIHYDROXYAFLATOXIN B1

Structure Search

SMILES

COC1=CC2=C([C@@H]3[C@@H](O)[C@H](O)O[C@@H]3O2)C4=C1C5=C(C(=O)CC5)C(=O)O4

InChI

InChIKey=JRZBEIPOZPNWID-KFZJALRRSA-N

InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13-,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H14O8
Molecular Weight	346.2883
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:15:35 GMT 2025` Edited by `admin` on `Mon Mar 31 19:15:35 GMT 2025`
Record UNII	P8E807JA4N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8,9-DIHYDROXYAFLATOXIN B1

Preferred Name

English

2,3-DIHYDRO-2,3-DIHYDROXYAFLATOXIN B1

Common Name

English

CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,8,9,9A-HEXAHYDRO-8,9-DIHYDROXY-4-METHOXY-, (6AS-(6A.ALPHA.,8.BETA.,9.ALPHA.,9A.ALPHA.))-

Systematic Name

English

AFLATOXIN B1 DIOL

Common Name

English

CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,8,9,9A-HEXAHYDRO-8,9-DIHYDROXY-4-METHOXY-, (6AS,8R,9R,9AR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

3035008

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

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CAS

50668-79-6

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

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FDA UNII

P8E807JA4N

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

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EPA CompTox

DTXSID30964904

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

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