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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H10O5
Molecular Weight 198.1727
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VANILMANDELIC ACID, (-)-

SMILES

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

InChI

InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-N
InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H10O5
Molecular Weight 198.1727
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:10:05 UTC 2023
Edited
by admin
on Sat Dec 16 09:10:05 UTC 2023
Record UNII
M19V3799SB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VANILMANDELIC ACID, (-)-
Common Name English
D(-)VANILLYLMANDELIC ACID
Common Name English
D-VANILLYLMANDELIC ACID
Common Name English
VANILMANDELIC ACID, D-
Common Name English
(-)-VANILMANDELIC ACID
Common Name English
D-(-)-4-HYDROXY-3-METHOXYMANDELIC ACID
Common Name English
(R)-4-HYDROXY-3-METHOXYMANDELIC ACID
Common Name English
VANILMANDELIC ACID, D-(-)-
Common Name English
BENZENEACETIC ACID,.ALPHA.,4-DIHYDROXY-3-METHOXY-, (.ALPHA.R)-
Common Name English
BENZENEACETIC ACID,.ALPHA.,4-DIHYDROXY-3-METHOXY-, (R)-
Common Name English
VANILMANDELIC ACID D-FORM [MI]
Common Name English
(-)-4-HYDROXY-3-METHOXYMANDELIC ACID
Common Name English
Code System Code Type Description
FDA UNII
M19V3799SB
Created by admin on Sat Dec 16 09:10:06 UTC 2023 , Edited by admin on Sat Dec 16 09:10:06 UTC 2023
PRIMARY
PUBCHEM
736173
Created by admin on Sat Dec 16 09:10:06 UTC 2023 , Edited by admin on Sat Dec 16 09:10:06 UTC 2023
PRIMARY
CAS
41093-71-4
Created by admin on Sat Dec 16 09:10:06 UTC 2023 , Edited by admin on Sat Dec 16 09:10:06 UTC 2023
PRIMARY
MERCK INDEX
m11391
Created by admin on Sat Dec 16 09:10:06 UTC 2023 , Edited by admin on Sat Dec 16 09:10:06 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Unit: percent of tritium in the urine; See table 1 the source.
IN-VIVO
URINE
PARENT -> METABOLITE