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(Q74418316)
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English
vanillate
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
1 reference
stated in
ChEBI release 2019-11-01
part of
vanillate monooxygenase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
vanillin dehydrogenase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
cyanidin 3-O-glucoside 7-O-glucosyltransferase (vanilloyl-glucose dependent) activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
167.03498228391
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₇O₄
1 reference
stated in
RCSB protein data bank
PDB ligand ID
VNL
language of work or name
English
retrieved
16 February 2021
canonical SMILES
COc1cc(ccc1O)C(=O)[O-]
1 reference
stated in
RCSB protein data bank
PDB ligand ID
VNL
language of work or name
English
retrieved
16 February 2021
Identifiers
InChI
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
1 reference
stated in
RCSB protein data bank
PDB ligand ID
VNL
language of work or name
English
retrieved
16 February 2021
InChIKey
WKOLLVMJNQIZCI-UHFFFAOYSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
54675858
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WKOLLVMJNQIZCI-UHFFFAOYSA-M
Reaxys registry number
6504377
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
16632
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
UniChem compound ID
650734
1 reference
stated in
UniChem
Cannabis Database ID
006148
1 reference
stated in
Cannabis Database
DrugBank ID
DB02130
1 reference
matched by identifier from
InChIKey
InChIKey
WKOLLVMJNQIZCI-UHFFFAOYSA-M
Probes And Drugs ID
PD008527
0 references
PDB ligand ID
VNL
0 references
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