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CHEBI:198257 - Inonotin C

ChEBI IDCHEBI:198257
ChEBI NameInonotin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@H]1CC[C@@H]2[C@H]1[C@@H]1[C@H](CC(=O)[C@@]2(C)O)[C@]1(C)CO
InChIInChI=1S/C15H24O3/c1-8-4-5-9-12(8)13-10(14(13,2)7-16)6-11(17)15(9,3)18/h8-10,12-13,16,18H,4-7H2,1-3H3/t8-,9+,10-,12-,13-,14-,15-/m0/s1
InChIKeyYIFNQFZNDSUUFI-YTXXYNILSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies BCC 23706 (ncbitaxon:1617631) - PubMed (26307664)
ChEBI Ontology
Outgoing Relation(s)
Inonotin C (CHEBI:198257) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,1aS,4S,4aR,7S,7aR,7bR)-4-hydroxy-1-(hydroxymethyl)-1,4,7-trimethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-3-one
Manual XrefsDatabases
78441966ChemSpider