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CHEBI:222730 - Bipolaroxin

ChEBI IDCHEBI:222730
ChEBI NameBipolaroxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESC=C(C=O)[C@]1(O)C[C@@]2(C)C(=CC1=O)C=C[C@H](O)[C@@H]2C
InChIInChI=1S/C15H18O4/c1-9(7-16)15(19)8-14(3)10(2)12(17)5-4-11(14)6-13(15)18/h4-7,10,12,17,19H,1,8H2,2-3H3/t10-,12-,14+,15+/m0/s1
InChIKeyJHFQQYIKTDAADV-OBCWZRDOSA-N
Species of MetaboliteComponentSourceComments
Bipolaris cynodontis (ncbitaxon:74411) - PubMed (3866223)
ChEBI Ontology
Outgoing Relation(s)
Bipolaroxin (CHEBI:222730) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2R,7S,8R,8aR)-2,7-dihydroxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1H-naphthalen-2-yl]prop-2-enal
Manual XrefsDatabases
129598ChemSpider