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CHEBI:215240 - Bipolenin G

ChEBI IDCHEBI:215240
ChEBI NameBipolenin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=C(C=O)[C@@H]2C(CO)[C@@]1(C)C[C@@H](O)[C@@H]2C(C)C
InChIInChI=1S/C15H24O3/c1-8(2)13-12(18)5-15(4)9(3)10(6-16)14(13)11(15)7-17/h6,8,11-14,17-18H,5,7H2,1-4H3/t11?,12-,13+,14-,15+/m1/s1
InChIKeyOBHGHOAPMMIDMB-ZKXZWOTCSA-N
Species of MetaboliteComponentSourceComments
Bipolaris eleusines (ncbitaxon:91366) - DOI (10.1016/j.phytol.2018.07.007)
ChEBI Ontology
Outgoing Relation(s)
Bipolenin G (CHEBI:215240) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3R,4R,5R)-3-hydroxy-8-(hydroxymethyl)-1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-6-carbaldehyde