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Details

Stereochemistry RACEMIC
Molecular Formula C12H12O6
Molecular Weight 252.2201
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-1-BENZOPYRAN-2-ONE, 6-(1,2-DIHYDROXYETHYL)-7-HYDROXY-5-METHOXY-

SMILES

COC1=C2C=CC(=O)OC2=CC(O)=C1C(O)CO

InChI

InChIKey=XFANONNPRAYGHR-UHFFFAOYSA-N
InChI=1S/C12H12O6/c1-17-12-6-2-3-10(16)18-9(6)4-7(14)11(12)8(15)5-13/h2-4,8,13-15H,5H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H12O6
Molecular Weight 252.2201
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:39:58 GMT 2023
Edited
by admin
on Sat Dec 16 15:39:58 GMT 2023
Record UNII
0YAN4ZE7O7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1-BENZOPYRAN-2-ONE, 6-(1,2-DIHYDROXYETHYL)-7-HYDROXY-5-METHOXY-
Systematic Name English
5-METHOXYPSORALEN METABOLITE C
Common Name English
Code System Code Type Description
FDA UNII
0YAN4ZE7O7
Created by admin on Sat Dec 16 15:39:58 GMT 2023 , Edited by admin on Sat Dec 16 15:39:58 GMT 2023
PRIMARY
PUBCHEM
85673186
Created by admin on Sat Dec 16 15:39:58 GMT 2023 , Edited by admin on Sat Dec 16 15:39:58 GMT 2023
PRIMARY
CAS
145950-77-2
Created by admin on Sat Dec 16 15:39:58 GMT 2023 , Edited by admin on Sat Dec 16 15:39:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE