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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H10O5
Molecular Weight 258.2262
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GENTISIN

SMILES

COC1=CC2=C(C(=O)C3=CC(O)=CC=C3O2)C(O)=C1

InChI

InChIKey=XOXYHGOIRWABTC-UHFFFAOYSA-N
InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3

HIDE SMILES / InChI

Molecular Formula C14H10O5
Molecular Weight 258.2262
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 Fri Dec 15 15:12:45 UTC 2023
Edited
by admin
on Fri Dec 15 15:12:45 UTC 2023
Record UNII
K57MOP2HM0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GENTISIN
MI  
Common Name English
GENTIANIC ACID
Common Name English
GENTIANIN
Common Name English
1,7-DIHYDROXY-3-METHOXY-9H-XANTHEN-9-ONE
Systematic Name English
GENTIIN
Common Name English
4,7-DIHYDROXY-2-METHOXYXANTHONE
Systematic Name English
GENTISIN [MI]
Common Name English
Code System Code Type Description
CHEBI
5324
Created by admin on Fri Dec 15 15:12:45 UTC 2023 , Edited by admin on Fri Dec 15 15:12:45 UTC 2023
PRIMARY
MERCK INDEX
m5704
Created by admin on Fri Dec 15 15:12:45 UTC 2023 , Edited by admin on Fri Dec 15 15:12:45 UTC 2023
PRIMARY Merck Index
FDA UNII
K57MOP2HM0
Created by admin on Fri Dec 15 15:12:45 UTC 2023 , Edited by admin on Fri Dec 15 15:12:45 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-114-1
Created by admin on Fri Dec 15 15:12:45 UTC 2023 , Edited by admin on Fri Dec 15 15:12:45 UTC 2023
PRIMARY
CAS
437-50-3
Created by admin on Fri Dec 15 15:12:45 UTC 2023 , Edited by admin on Fri Dec 15 15:12:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID20195907
Created by admin on Fri Dec 15 15:12:45 UTC 2023 , Edited by admin on Fri Dec 15 15:12:45 UTC 2023
PRIMARY
PUBCHEM
5281636
Created by admin on Fri Dec 15 15:12:45 UTC 2023 , Edited by admin on Fri Dec 15 15:12:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT