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CHEBI:168582 - 3beta-Hydroxycinnamolide

ChEBI IDCHEBI:168582
ChEBI Name3beta-Hydroxycinnamolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@]12COC(=O)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C15H22O3/c1-14(2)11-5-4-9-10(8-18-13(9)17)15(11,3)7-6-12(14)16/h4,10-12,16H,5-8H2,1-3H3/t10-,11-,12-,15+/m0/s1
InChIKeyBXRHNOVSIVSFJG-JUFZMCDQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3beta-Hydroxycinnamolide (CHEBI:168582) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(5aR,7S,9aS,9bR)-7-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-3-one
Manual XrefsDatabases
24725664ChemSpider