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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H17ClO9
Molecular Weight	484.839
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 3-CHLOROBENZOATE

Structure Search

SMILES

COC1=CC2=C([C@@H]3[C@@H](O)[C@H](OC(=O)C4=CC(Cl)=CC=C4)O[C@@H]3O2)C5=C1C6=C(C(=O)CC6)C(=O)O5

InChI

InChIKey=HMAJXTXGTZAYKC-PBIIQAGSSA-N

InChI=1S/C24H17ClO9/c1-30-13-8-14-17(20-16(13)11-5-6-12(26)15(11)22(29)32-20)18-19(27)24(34-23(18)31-14)33-21(28)9-3-2-4-10(25)7-9/h2-4,7-8,18-19,23-24,27H,5-6H2,1H3/t18-,19-,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H17ClO9
Molecular Weight	484.839
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 23:28:10 GMT 2025` Edited by `admin` on `Mon Mar 31 23:28:10 GMT 2025`
Record UNII	XL240RV14F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

BENZOIC ACID, 3-CHLORO-, 1,2,3,6A,8,9,9A,11-OCTAHYDRO-9-HYDROXY-4-METHOXY-1,11-DIOXOCYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-8-YL ESTER, (6AS-(6A.ALPHA.,8.BETA.,9.ALPHA.,9A.ALPHA.))-

Preferred Name

English

Code System Code Type Description

PUBCHEM

121491706

Created by admin on Mon Mar 31 23:28:10 GMT 2025 , Edited by admin on Mon Mar 31 23:28:10 GMT 2025

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EPA CompTox

DTXSID20982814

Created by admin on Mon Mar 31 23:28:10 GMT 2025 , Edited by admin on Mon Mar 31 23:28:10 GMT 2025

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CAS

64267-66-9

Created by admin on Mon Mar 31 23:28:10 GMT 2025 , Edited by admin on Mon Mar 31 23:28:10 GMT 2025

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FDA UNII

XL240RV14F

Created by admin on Mon Mar 31 23:28:10 GMT 2025 , Edited by admin on Mon Mar 31 23:28:10 GMT 2025

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