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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O10
Molecular Weight 398.3613
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (-)-5-(3',4'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-METHYL-4'-O-GLUCURONIDE

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(C[C@H]3CCC(=O)O3)=C1

InChI

InChIKey=NGMVEYPQYAIGEI-XLDSZWISSA-N
InChI=1S/C18H22O10/c1-25-11-7-8(6-9-3-5-12(19)26-9)2-4-10(11)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)/t9-,13+,14+,15-,16+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22O10
Molecular Weight 398.3613
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:04:26 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:26 GMT 2023
Record UNII
63YB4Q4ZT8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-5-(3',4'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-METHYL-4'-O-GLUCURONIDE
Common Name English
5-(3',4'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-METHYL-4'-O-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-METHOXY-4-(((R)-5-OXOTETRAHYDROFURAN-2-YL)METHYL)PHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
156596949
Created by admin on Sat Dec 16 08:04:26 GMT 2023 , Edited by admin on Sat Dec 16 08:04:26 GMT 2023
PRIMARY
FDA UNII
63YB4Q4ZT8
Created by admin on Sat Dec 16 08:04:26 GMT 2023 , Edited by admin on Sat Dec 16 08:04:26 GMT 2023
PRIMARY
Related Record Type Details
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