Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:89555 - Vanillic acid-4-O-glucuronide
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Vanillic acid-4-O-glucuronide
ChEBI ID
CHEBI:89555
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C15H18O9
Net Charge
0
Average Mass
342.299
Monoisotopic Mass
342.09508
InChI
InChI=1S/C15H18O9/c1-
6-
10(16)
11(17)
12(14(20)
21)
24-
15(6)
23-
8-
4-
3-
7(13(18)
19)
5-
9(8)
22-
2/h3-
6,10-
12,15-
17H,1-
2H3,(H,18,19)
(H,20,21)
/t6-
,10-
,11+,12+,15-
/m1/s1
InChIKey
MBNPZIKKKDDLLL-QGZCQISNSA-N
SMILES
COC1=CC(=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)C)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Roles Classification
Application
(s):
astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via
tannin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Vanillic acid-4-O-glucuronide (
CHEBI:89555
)
is a
tannin (
CHEBI:26848
)
Synonym
Source
(2S,3S,4R,5R,6S)-6-(4-carboxy-2-methoxyphenoxy)-3,4-dihydroxy-5-methyloxane-2-carboxylic acid
HMDB
Manual Xref
Database
HMDB0060024
HMDB
View more database links
Citation
Type
Source
22827565
PubMed citation
Europe PMC