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CHEBI:211554 - Arohynapene B

ChEBI IDCHEBI:211554
ChEBI NameArohynapene B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILESCC1Cc2ccc(CO)c(/C=C/C=C/C(=O)O)c2C(C)C1
InChIInChI=1S/C18H22O3/c1-12-9-13(2)18-14(10-12)7-8-15(11-19)16(18)5-3-4-6-17(20)21/h3-8,12-13,19H,9-11H2,1-2H3,(H,20,21)/b5-3+,6-4+
InChIKeyXVNDJROXVPBPBY-GGWOSOGESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (8119861)
ChEBI Ontology
Outgoing Relation(s)
Arohynapene B (CHEBI:211554) is a tetralins (CHEBI:36786)
IUPAC Name 
(2E,4E)-5-[2-(hydroxymethyl)-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
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4947681ChemSpider