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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O5
Molecular Weight 236.2207
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXY-4-METHOXY-5-BENZOFURANPROPANOIC ACID

SMILES

COC1=C(CCC(O)=O)C(O)=CC2=C1C=CO2

InChI

InChIKey=FBISMQAHCQHEMK-UHFFFAOYSA-N
InChI=1S/C12H12O5/c1-16-12-7(2-3-11(14)15)9(13)6-10-8(12)4-5-17-10/h4-6,13H,2-3H2,1H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-METHOXYPSORALEN METABOLITE X
Preferred Name English
6-HYDROXY-4-METHOXY-5-BENZOFURANPROPANOIC ACID
Systematic Name English
5-BENZOFURANPROPANOIC ACID, 6-HYDROXY-4-METHOXY-
Systematic Name English
Code System Code Type Description
CAS
1234359-06-8
Created by admin on Wed Apr 02 05:58:04 GMT 2025 , Edited by admin on Wed Apr 02 05:58:04 GMT 2025
PRIMARY
PUBCHEM
46867245
Created by admin on Wed Apr 02 05:58:04 GMT 2025 , Edited by admin on Wed Apr 02 05:58:04 GMT 2025
PRIMARY
FDA UNII
8SW6QV75TS
Created by admin on Wed Apr 02 05:58:04 GMT 2025 , Edited by admin on Wed Apr 02 05:58:04 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of BERGAPTEN
NIH
NCATS
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