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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20O10
Molecular Weight 372.324
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXY-6-METHOXY-3-METHYLACETOPHENONE-4-O-.BETA.-GLUCURONIDE

SMILES

COC1=C(C(C)=O)C(O)=C(C)C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1

InChI

InChIKey=YWKJNMCFKRUTQY-JHZZJYKESA-N
InChI=1S/C16H20O10/c1-5-7(4-8(24-3)9(6(2)17)10(5)18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h4,11-14,16,18-21H,1-3H3,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20O10
Molecular Weight 372.324
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:14:00 GMT 2023
Edited
by admin
on Sat Dec 16 16:14:00 GMT 2023
Record UNII
7OL47ZIK1T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXY-6-METHOXY-3-METHYLACETOPHENONE-4-O-.BETA.-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-ACETYL-3-HYDROXY-5-METHOXY-2-METHYLPHENYL
Systematic Name English
Code System Code Type Description
PUBCHEM
154572853
Created by admin on Sat Dec 16 16:14:00 GMT 2023 , Edited by admin on Sat Dec 16 16:14:00 GMT 2023
PRIMARY
CAS
1314746-35-4
Created by admin on Sat Dec 16 16:14:00 GMT 2023 , Edited by admin on Sat Dec 16 16:14:00 GMT 2023
PRIMARY
FDA UNII
7OL47ZIK1T
Created by admin on Sat Dec 16 16:14:00 GMT 2023 , Edited by admin on Sat Dec 16 16:14:00 GMT 2023
PRIMARY
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