CHEBI:193730 - 3-(2-hydroxy-3-methoxyphenyl)propanal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-(2-hydroxy-3-methoxyphenyl)propanal
ChEBI ID CHEBI:193730
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O3
Net Charge 0
Average Mass 180.203
Monoisotopic Mass 180.07864
InChI InChI=1S/C10H12O3/c1-13-9-6-2-4-8(10(9)12)5-3-7-11/h2,4,6-7,12H,3,5H2,1H3
InChIKey NQRVPESLWLXSAV-UHFFFAOYSA-N
SMILES O(C=1C(O)=C(CCC=O)C=CC1)C
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-(2-hydroxy-3-methoxyphenyl)propanal (CHEBI:193730) is a methoxybenzenes (CHEBI:51683)
3-(2-hydroxy-3-methoxyphenyl)propanal (CHEBI:193730) is a phenols (CHEBI:33853)
IUPAC Name
3-(2-hydroxy-3-methoxyphenyl)propanal
Manual Xref Database
45665623 ChemSpider
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