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Details

Stereochemistry UNKNOWN
Molecular Formula C17H18O6
Molecular Weight 318.3212
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFLATOXIN RB1

SMILES

[H][C@]12OC=C[C@@]1([H])C3=C(O)C(C4=C(CO)C(O)CC4)=C(OC)C=C3O2

InChI

InChIKey=MLDYLDXFPNKBND-ZSGHDVKXSA-N
InChI=1S/C17H18O6/c1-21-12-6-13-15(9-4-5-22-17(9)23-13)16(20)14(12)8-2-3-11(19)10(8)7-18/h4-6,9,11,17-20H,2-3,7H2,1H3/t9-,11?,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18O6
Molecular Weight 318.3212
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:49:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:49:42 GMT 2023
Record UNII
Z0URG010OP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFLATOXIN RB1
Common Name English
7-(3-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENTEN-1-YL)-6-METHOXY-3A,8B-DIHYDROFURO(2,3-B)BENZOFURAN-8-OL
Systematic Name English
FURO(2,3-B)BENZOFURAN-4-OL, 3A,8A-DIHYDRO-5-(3-HYDROXY-2-(HYDROXYMETHYL)-1-CYCLOPENTEN-1-YL)-6-METHOXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
123133521
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY
CAS
56217-83-5
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY
FDA UNII
Z0URG010OP
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY