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CHEBI:211861 - Bipolenin K

ChEBI IDCHEBI:211861
ChEBI NameBipolenin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C1[C@@H]2C(=O)OC[C@H]3[C@@H]2[C@@H](C(C)(C)O)CC[C@@]13C
InChIInChI=1S/C15H22O3/c1-8-11-12-9(14(2,3)17)5-6-15(8,4)10(12)7-18-13(11)16/h9-12,17H,1,5-7H2,2-4H3/t9-,10-,11-,12-,15-/m0/s1
InChIKeyPAHBCYFTCSJERU-VSBZFQJLSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31501669)
ChEBI Ontology
Outgoing Relation(s)
Bipolenin K (CHEBI:211861) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,3R,7S,8R,9S)-9-(2-hydroxypropan-2-yl)-1-methyl-2-methylidene-5-oxatricyclo[5.4.0.03,8]undecan-4-one