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CHEBI:201996 - Inonotin D

ChEBI IDCHEBI:201996
ChEBI NameInonotin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@@H]1[C@@H]2[C@@H]3[C@H](CC(=O)[C@@](C)(O)[C@@H]2C[C@H]1O)C3(C)C
InChIInChI=1S/C15H24O3/c1-7-10(16)5-8-12(7)13-9(14(13,2)3)6-11(17)15(8,4)18/h7-10,12-13,16,18H,5-6H2,1-4H3/t7-,8+,9-,10+,12-,13-,15-/m0/s1
InChIKeyXPSJYFPJGJRACN-GVFFDQDYSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies BCC 23706 (ncbitaxon:1617631) - PubMed (26307664)
ChEBI Ontology
Outgoing Relation(s)
Inonotin D (CHEBI:201996) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aS,4S,4aR,6R,7R,7aS,7bR)-4,6-dihydroxy-1,1,4,7-tetramethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-3-one
Manual XrefsDatabases
78441999ChemSpider