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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H10O5
Molecular Weight 270.2369
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SULFURETIN

SMILES

OC1=CC=C2C(=O)\C(OC2=C1)=C\C3=CC(O)=C(O)C=C3

InChI

InChIKey=RGNXWPVNPFAADO-NSIKDUERSA-N
InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-

HIDE SMILES / InChI

Molecular Formula C15H10O5
Molecular Weight 270.2369
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:37:39 UTC 2023
Edited
by admin
on Sat Dec 16 01:37:39 UTC 2023
Record UNII
M6410VY6MI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULFURETIN
MI  
Common Name English
ISOLIQUIRITIGENIN METABOLITE M3
Common Name English
SULFURETIN [MI]
Common Name English
3(2H)-BENZOFURANONE, 2-((3,4-DIHYDROXYPHENYL)METHYLENE)-6-HYDROXY-, (Z)-
Systematic Name English
3(2H)-BENZOFURANONE, 2-(3,4-DIHYDROXYBENZYLIDENE)-6-HYDROXY-
Systematic Name English
3',4',6-TRIHYDROXYBENZALCOUMARANONE
Common Name English
3(2H)-BENZOFURANONE, 2-((3,4-DIHYDROXYPHENYL)METHYLENE)-6-HYDROXY-, (2Z)-
Systematic Name English
SULPHURETIN
Common Name English
3',4',6-TRIHYDROXYAURONE
Common Name English
2-(3,4-DIHYDROXYBENZYLIDENE)-6-HYDROXY-3(2H)-BENZOFURANONE
Systematic Name English
Code System Code Type Description
CAS
120-05-8
Created by admin on Sat Dec 16 01:37:39 UTC 2023 , Edited by admin on Sat Dec 16 01:37:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID30877681
Created by admin on Sat Dec 16 01:37:39 UTC 2023 , Edited by admin on Sat Dec 16 01:37:39 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-366-4
Created by admin on Sat Dec 16 01:37:39 UTC 2023 , Edited by admin on Sat Dec 16 01:37:39 UTC 2023
PRIMARY
MESH
C054989
Created by admin on Sat Dec 16 01:37:39 UTC 2023 , Edited by admin on Sat Dec 16 01:37:39 UTC 2023
PRIMARY
PUBCHEM
5281295
Created by admin on Sat Dec 16 01:37:39 UTC 2023 , Edited by admin on Sat Dec 16 01:37:39 UTC 2023
PRIMARY
CHEBI
9355
Created by admin on Sat Dec 16 01:37:39 UTC 2023 , Edited by admin on Sat Dec 16 01:37:39 UTC 2023
PRIMARY
FDA UNII
M6410VY6MI
Created by admin on Sat Dec 16 01:37:39 UTC 2023 , Edited by admin on Sat Dec 16 01:37:39 UTC 2023
PRIMARY
MERCK INDEX
m10372
Created by admin on Sat Dec 16 01:37:39 UTC 2023 , Edited by admin on Sat Dec 16 01:37:39 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> METABOLITE
IN VITRO
MAJOR