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CHEBI:200299 - Inonotin K

ChEBI IDCHEBI:200299
ChEBI NameInonotin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESC[C@H]1CC[C@@H]2[C@H]1[C@@H]1[C@H](C[C@H](O)[C@@]2(C)O)[C@@]1(C)CO
InChIInChI=1S/C15H26O3/c1-8-4-5-9-12(8)13-10(14(13,2)7-16)6-11(17)15(9,3)18/h8-13,16-18H,4-7H2,1-3H3/t8-,9+,10-,11-,12-,13-,14+,15-/m0/s1
InChIKeyWQKJFSBJDMFNLZ-WIDFVHTNSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies BCC 23706 (ncbitaxon:1617631) - PubMed (26307664)
ChEBI Ontology
Outgoing Relation(s)
Inonotin K (CHEBI:200299) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,1aS,3S,4S,4aR,7S,7aR,7bR)-1-(hydroxymethyl)-1,4,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-3,4-diol
Manual XrefsDatabases
78441988ChemSpider