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CHEBI:209228 - Inonotin A

ChEBI IDCHEBI:209228
ChEBI NameInonotin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC[C@H]1CC[C@@H]2[C@H]1[C@@H]1[C@H](CC(=O)[C@@]2(C)O)C1(C)C
InChIInChI=1S/C15H24O2/c1-8-5-6-9-12(8)13-10(14(13,2)3)7-11(16)15(9,4)17/h8-10,12-13,17H,5-7H2,1-4H3/t8-,9+,10-,12-,13-,15-/m0/s1
InChIKeyKHKPHGFRCLTIRU-QWXWDBDGSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies BCC 23706 (ncbitaxon:1617631) - PubMed (26307664)
ChEBI Ontology
Outgoing Relation(s)
Inonotin A (CHEBI:209228) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aS,4S,4aR,7S,7aR,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-3-one
Manual XrefsDatabases
78442111ChemSpider