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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O5
Molecular Weight 212.1993
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2,4-DIHYDROXY-6-METHOXY-3-METHYLPHENYL)-2-HYDROXYETHANONE

SMILES

COC1=C(C(=O)CO)C(O)=C(C)C(O)=C1

InChI

InChIKey=XYVNPMCIILFTFE-UHFFFAOYSA-N
InChI=1S/C10H12O5/c1-5-6(12)3-8(15-2)9(10(5)14)7(13)4-11/h3,11-12,14H,4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H12O5
Molecular Weight 212.1993
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 16:46:57 GMT 2023
Edited
by admin
on Sat Dec 16 16:46:57 GMT 2023
Record UNII
SX537RG04F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2,4-DIHYDROXY-6-METHOXY-3-METHYLPHENYL)-2-HYDROXYETHANONE
Systematic Name English
ETHANONE, 1-(2,4-DIHYDROXY-6-METHOXY-3-METHYLPHENYL)-2-HYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
91352605
Created by admin on Sat Dec 16 16:46:57 GMT 2023 , Edited by admin on Sat Dec 16 16:46:57 GMT 2023
PRIMARY
FDA UNII
SX537RG04F
Created by admin on Sat Dec 16 16:46:57 GMT 2023 , Edited by admin on Sat Dec 16 16:46:57 GMT 2023
PRIMARY
CAS
1314746-33-2
Created by admin on Sat Dec 16 16:46:57 GMT 2023 , Edited by admin on Sat Dec 16 16:46:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO