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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10O6
Molecular Weight 250.2042
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXY-5-METHOXY-2-OXO-2H-1-BENZOPYRAN-6-ACETIC ACID

SMILES

COC1=C2C=CC(=O)OC2=CC(O)=C1CC(O)=O

InChI

InChIKey=AVYDIBUKFRFHTM-UHFFFAOYSA-N
InChI=1S/C12H10O6/c1-17-12-6-2-3-11(16)18-9(6)5-8(13)7(12)4-10(14)15/h2-3,5,13H,4H2,1H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C12H10O6
Molecular Weight 250.2042
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 15:21:37 GMT 2023
Edited
by admin
on Sat Dec 16 15:21:37 GMT 2023
Record UNII
LZ8PLD7Z2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-HYDROXY-5-METHOXY-2-OXO-2H-1-BENZOPYRAN-6-ACETIC ACID
Systematic Name English
5-METHOXYPSORALEN METABOLITE A
Common Name English
2H-1-BENZOPYRAN-6-ACETIC ACID, 7-HYDROXY-5-METHOXY-2-OXO-
Systematic Name English
Code System Code Type Description
CAS
3067-03-6
Created by admin on Sat Dec 16 15:21:37 GMT 2023 , Edited by admin on Sat Dec 16 15:21:37 GMT 2023
PRIMARY
FDA UNII
LZ8PLD7Z2N
Created by admin on Sat Dec 16 15:21:37 GMT 2023 , Edited by admin on Sat Dec 16 15:21:37 GMT 2023
PRIMARY
PUBCHEM
85778829
Created by admin on Sat Dec 16 15:21:37 GMT 2023 , Edited by admin on Sat Dec 16 15:21:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE