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CHEBI:208420 - Inonotin J

ChEBI IDCHEBI:208420
ChEBI NameInonotin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESC[C@]1(CO)[C@@H]2[C@H]3[C@@H](CO)CC[C@H]3[C@](C)(O)CC[C@@H]21
InChIInChI=1S/C15H26O3/c1-14(8-17)11-5-6-15(2,18)10-4-3-9(7-16)12(10)13(11)14/h9-13,16-18H,3-8H2,1-2H3/t9-,10-,11+,12+,13+,14-,15-/m1/s1
InChIKeyUCTPQBJTSCTRLZ-UBRSESRLSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies BCC 23706 (ncbitaxon:1617631) - PubMed (26307664)
ChEBI Ontology
Outgoing Relation(s)
Inonotin J (CHEBI:208420) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,1aS,4R,4aR,7S,7aS,7bR)-1,7-bis(hydroxymethyl)-1,4-dimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
Manual XrefsDatabases
78442070ChemSpider