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CHEBI:223364 - Bipolenin C

Default Structure
ChEBI IDCHEBI:223364
ChEBI NameBipolenin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O4
Net Charge0
Average Mass322.445
Monoisotopic Mass322.21441
SMILESCC(=O)OCC[C@H]1[C@H]2C=C(COC(C)=O)[C@]1(C)CCCC2(C)C
InChIInChI=1S/C19H30O4/c1-13(20)22-10-7-16-17-11-15(12-23-14(2)21)19(16,5)9-6-8-18(17,3)4/h11,16-17H,6-10,12H2,1-5H3/t16-,17+,19-/m0/s1
InChIKeyWBGWRVSBZUJVHK-SCTDSRPQSA-N
Species of MetaboliteComponentSourceComments
Bipolaris eleusines (ncbitaxon:91366) - PubMed (26499168)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Bipolenin C (CHEBI:223364) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
2-[(1R,6R,9S)-8-(acetyloxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethyl acetate
Manual XrefsDatabases
78441407ChemSpider