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CHEBI:214618 - Inonoalliacane G

ChEBI IDCHEBI:214618
ChEBI NameInonoalliacane G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O6
Net Charge0
Average Mass352.427
Monoisotopic Mass352.18859
SMILESC=C1CO[C@@]2(O)[C@H](O)[C@@H](C)[C@H]3CC(C)(C)[C@H](OC(=O)C(C)C)[C@]34O[C@@]142
InChIInChI=1S/C19H28O6/c1-9(2)14(21)24-15-16(5,6)7-12-11(4)13(20)19(22)18(10(3)8-23-19)17(12,15)25-18/h9,11-13,15,20,22H,3,7-8H2,1-2,4-6H3/t11-,12+,13+,15-,17+,18-,19-/m0/s1
InChIKeyCPYVTUKOCGCYQF-MGZADKSZSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (28173949)
ChEBI Ontology
Outgoing Relation(s)
Inonoalliacane G (CHEBI:214618) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1R,3S,7S,8R,9S,10R,13S)-7,8-dihydroxy-9,12,12-trimethyl-4-methylidene-2,6-dioxatetracyclo[8.3.0.01,3.03,7]tridecan-13-yl] 2-methylpropanoate
Manual XrefsDatabases
78442134ChemSpider