loading...| Preferred Name |
vanillin |
|
| Synonyms |
4-hydroxy-3-methoxybenzaldehyde Vanillin vanillin p-hydroxy-m-methoxybenzaldehyde vanillaldehyde Vanillaldehyde 4-hydroxy-m-anisaldehyde methylprotocatechuic aldehyde 4-formyl-2-methoxyphenol vanillic aldehyde 4-Hydroxy-3-methoxybenzaldehyde 4-Hydroxy-3-methoxy-benzaldehyde 3-methoxy-4-hydroxybenzaldehyde p-vanillin vaniline |
|
| Definitions |
A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_18346 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:19238838 KNApSAcK:C00029531 UM-BBD_compID:c0193 PMID:18479250 PMID:34013088 PMID:21542597 PMCID:PMC7790484 PMCID:PMC8235570 PMID:33477040 KEGG:D00091 Beilstein:472792 HMDB:HMDB0012308 PMID:21417387 PMID:19812218 PMID:29950589 PMID:31661600 FooDB:FDB000838 PDBeChem:V55 Wikipedia:Vanillin PMID:34035660 KEGG:C00755 KNApSAcK:C00002683 CAS:121-33-5 Gmelin:3596 PMID:22308371 PMID:21846089 PMID:33938405 MetaCyc:VANILLIN |
|
| definition |
A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. |
|
| formula |
C8H8O3 |
|
| has_alternative_id |
CHEBI:20380 CHEBI:15302 CHEBI:48387 CHEBI:1842 |
|
| has_exact_synonym |
4-hydroxy-3-methoxybenzaldehyde Vanillin vanillin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
4-hydroxy-3-methoxybenzaldehyde p-hydroxy-m-methoxybenzaldehyde vanillaldehyde Vanillaldehyde 4-hydroxy-m-anisaldehyde methylprotocatechuic aldehyde 4-formyl-2-methoxyphenol vanillic aldehyde 4-Hydroxy-3-methoxybenzaldehyde 4-Hydroxy-3-methoxy-benzaldehyde 3-methoxy-4-hydroxybenzaldehyde p-vanillin vaniline |
|
| id |
CHEBI:18346 |
|
| in_subset | ||
| inchi |
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
|
| inchikey |
MWOOGOJBHIARFG-UHFFFAOYSA-N |
|
| label |
vanillin |
|
| mass |
152.149 |
|
| monoisotopicmass |
152.04734 |
|
| notation |
CHEBI:18346 |
|
| prefLabel |
vanillin |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_22586 http://purl.obolibrary.org/obo/CHEBI_35617 |
|
| smiles |
[H]C(=O)C1=CC(OC)=C(O)C=C1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25235 |