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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H12O6
Molecular Weight 300.2629
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GERALDOL

SMILES

COC1=C(O)C=CC(=C1)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3

InChI

InChIKey=WRFQRUBJBPLPAM-UHFFFAOYSA-N
InChI=1S/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
GERALDOL
Common Name English
3,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 3,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
21511-25-1
Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID30175851
Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023
PRIMARY
FDA UNII
2KR35TI2XV
Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023
PRIMARY
PUBCHEM
5482101
Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-414-1
Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023
PRIMARY