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CHEBI:214848 - Inonotin E

ChEBI IDCHEBI:214848
ChEBI NameInonotin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESC[C@@H]1[C@@H]2[C@@H]3[C@H](CC(=O)[C@@](C)(O)[C@@H]2C[C@H]1O)[C@@]3(C)CO
InChIInChI=1S/C15H24O4/c1-7-10(17)4-8-12(7)13-9(14(13,2)6-16)5-11(18)15(8,3)19/h7-10,12-13,16-17,19H,4-6H2,1-3H3/t7-,8+,9-,10+,12-,13-,14+,15-/m0/s1
InChIKeyQZTLIWBOMBULKP-OGTMSQGUSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies BCC 23706 (ncbitaxon:1617631) - PubMed (26307664)
ChEBI Ontology
Outgoing Relation(s)
Inonotin E (CHEBI:214848) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,1aS,4S,4aR,6R,7R,7aS,7bR)-4,6-dihydroxy-1-(hydroxymethyl)-1,4,7-trimethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-3-one
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78442079ChemSpider