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CHEBI:197784 - Inonotin G

ChEBI IDCHEBI:197784
ChEBI NameInonotin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESC[C@]1(CO)[C@@H]2[C@H]3[C@@H](CO)CC[C@H]3[C@](C)(O)C(=O)C[C@@H]21
InChIInChI=1S/C15H24O4/c1-14(7-17)10-5-11(18)15(2,19)9-4-3-8(6-16)12(9)13(10)14/h8-10,12-13,16-17,19H,3-7H2,1-2H3/t8-,9-,10+,12+,13+,14-,15+/m1/s1
InChIKeySMBFHNHYCIWWQC-JYRUDBFUSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies BCC 23706 (ncbitaxon:1617631) - PubMed (26307664)
ChEBI Ontology
Outgoing Relation(s)
Inonotin G (CHEBI:197784) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,1aS,4S,4aR,7S,7aS,7bR)-4-hydroxy-1,7-bis(hydroxymethyl)-1,4-dimethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-3-one
Manual XrefsDatabases
78441964ChemSpider