U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H12O6
Molecular Weight 312.2736
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAVULGARIN

SMILES

COC1=C2OCOC2=CC3=C1C(=O)C(=CO3)C4=C(O)C=CC=C4

InChI

InChIKey=NDVRQFZUJRMKKP-UHFFFAOYSA-N
InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H12O6
Molecular Weight 312.2736
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:20:41 GMT 2023
Edited
by admin
on Sat Dec 16 11:20:41 GMT 2023
Record UNII
6ZPC914C84
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAVULGARIN
Common Name English
8H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-8-ONE, 7-(2-HYDROXYPHENYL)-9-METHOXY-
Systematic Name English
Code System Code Type Description
CAS
51068-94-1
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
PRIMARY
FDA UNII
6ZPC914C84
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
PRIMARY
PUBCHEM
442668
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID30331899
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
PRIMARY