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CHEBI:200924 - JBIR-27

ChEBI IDCHEBI:200924
ChEBI NameJBIR-27
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C(C)C1CC2(CO)C(=CC1=O)CC[C@@H](O)[C@@H]2C
InChIInChI=1S/C15H22O3/c1-9(2)12-7-15(8-16)10(3)13(17)5-4-11(15)6-14(12)18/h6,10,12-13,16-17H,1,4-5,7-8H2,2-3H3/t10-,12?,13+,15?/m0/s1
InChIKeyVXPARNCTMSWSHF-OXRVDDMESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19282878)
ChEBI Ontology
Outgoing Relation(s)
JBIR-27 (CHEBI:200924) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(5R,6R)-6-hydroxy-4a-(hydroxymethyl)-5-methyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
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78441885ChemSpider