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CHEBI:214997 - Heterocornol B

ChEBI IDCHEBI:214997
ChEBI NameHeterocornol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESCCC[C@H](O)[C@H](O)/C=C/c1cccc(O)c1C=O
InChIInChI=1S/C14H18O4/c1-2-4-13(17)14(18)8-7-10-5-3-6-12(16)11(10)9-15/h3,5-9,13-14,16-18H,2,4H2,1H3/b8-7+/t13-,14+/m0/s1
InChIKeyFQVVYSGJJLYYAS-JYASZMECSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (28675830)
ChEBI Ontology
Outgoing Relation(s)
Heterocornol B (CHEBI:214997) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
2-[(E,3R,4S)-3,4-dihydroxyhept-1-enyl]-6-hydroxybenzaldehyde
Manual XrefsDatabases
62285126ChemSpider