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CHEBI:184734 - Cryptocaryone

ChEBI IDCHEBI:184734
ChEBI NameCryptocaryone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O4
Net Charge0
Average Mass282.295
Monoisotopic Mass282.08921
SMILES[H][C@]12C=CC(=O)/C(=C(O)/C=C/c3ccccc3)[C@@]1([H])CC(=O)O2
InChIInChI=1S/C17H14O4/c18-13(7-6-11-4-2-1-3-5-11)17-12-10-16(20)21-15(12)9-8-14(17)19/h1-9,12,15,18H,10H2/b7-6+,17-13-/t12-,15-/m0/s1
InChIKeyPTLQMLWEJRHXDU-VHIARPGFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Cryptocaryone (CHEBI:184734) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3aR,4Z,7aS)-4-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-3a,7a-dihydro-3H-1-benzouran-2,5-dione
Manual XrefsDatabases
8554469ChemSpider