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vanillin (CHEBI:18346)

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ChEBI Name vanillin
ChEBI ID CHEBI:18346
Last Modified 17 October 2009
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15302, CHEBI:1842, CHEBI:48387, CHEBI:113369, CHEBI:20380
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InChI
InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey
InChIKey=MWOOGOJBHIARFG-UHFFFAOYAS
SMILES
[H]C(=O)c1ccc(O)c(OC)c1
Formula Source
C8H8O3 KEGG COMPOUND
Charge 0
Mass 152.14732
ChEBI Ontology
Tree view
Outgoing vanillin (CHEBI:18346) has role antioxidant (CHEBI:22586)
vanillin (CHEBI:18346) has role anticonvulsant (CHEBI:35623)
vanillin (CHEBI:18346) has role flavouring agent (CHEBI:35617)
vanillin (CHEBI:18346) is a benzaldehydes (CHEBI:22698)
Incoming 5-nitrovanillin (CHEBI:48385) has functional parent vanillin (CHEBI:18346)
ethyl vanillin (CHEBI:48408) has functional parent vanillin (CHEBI:18346)
IUPAC Name
4-hydroxy-3-methoxybenzaldehyde
Synonyms Sources
3-methoxy-4-hydroxybenzaldehyde UM-BBD
4-formyl-2-methoxyphenol ChemIDplus
4-Hydroxy-3-methoxy-benzaldehyde KEGG COMPOUND
4-hydroxy-3-methoxybenzaldehyde ChemIDplus
4-Hydroxy-3-methoxybenzaldehyde KEGG COMPOUND
4-hydroxy-m-anisaldehyde NIST Chemistry WebBook
methylprotocatechuic aldehyde ChemIDplus
p-hydroxy-m-methoxybenzaldehyde NIST Chemistry WebBook
p-vanillin NIST Chemistry WebBook
vaniline ChEBI
vanillaldehyde ChemIDplus
Vanillaldehyde KEGG COMPOUND
vanillic aldehyde ChemIDplus
Vanillin KEGG COMPOUND
Database Links Databases
C00755 KEGG COMPOUND
c0193 UM-BBD
113369 ChEMBL
Registry Numbers Types Sources
121-33-5 CAS Registry Number ChemIDplus
121-33-5 CAS Registry Number ChemIDplus
121-33-5 CAS Registry Number NIST Chemistry WebBook
3596 Gmelin Registry Number Gmelin
472792 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15341482 PubMed citation ChEMBL
16134935 PubMed citation ChEMBL
16290145 PubMed citation ChEMBL
17258462 PubMed citation ChEMBL
18207412 PubMed citation ChEMBL
3599019 PubMed citation ChEMBL

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