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CHEBI:207191 - Bipolenin B

ChEBI IDCHEBI:207191
ChEBI NameBipolenin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O3
Net Charge0
Average Mass280.408
Monoisotopic Mass280.20384
SMILESCC(=O)OCC1=C[C@@H]2[C@H](CCO)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C17H28O3/c1-12(19)20-11-13-10-15-14(6-9-18)17(13,4)8-5-7-16(15,2)3/h10,14-15,18H,5-9,11H2,1-4H3/t14-,15+,17-/m0/s1
InChIKeyLLLYJWVDWHLDLK-UXLLHSPISA-N
Species of MetaboliteComponentSourceComments
Bipolaris eleusines (ncbitaxon:91366) - PubMed (26499168)
ChEBI Ontology
Outgoing Relation(s)
Bipolenin B (CHEBI:207191) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1R,6R,9S)-9-(2-hydroxyethyl)-2,2,6-trimethyl-7-bicyclo[4.2.1]non-7-enyl]methyl acetate
Manual XrefsDatabases
78441467ChemSpider