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CHEBI:208799 - 17-O-methyltricycloalternarene D

ChEBI IDCHEBI:208799
ChEBI Name17-O-methyltricycloalternarene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILESCO[C@@H]1CCC2=C(C[C@H]3C([C@H](C)CCC[C@H](C)COC(C)=O)=CC[C@@]3(C)O2)C1=O
InChIInChI=1S/C24H36O5/c1-15(14-28-17(3)25)7-6-8-16(2)18-11-12-24(4)20(18)13-19-21(29-24)9-10-22(27-5)23(19)26/h11,15-16,20,22H,6-10,12-14H2,1-5H3/t15-,16+,20-,22+,24+/m0/s1
InChIKeyFTWIBCFQLNKHTC-XEXUXASOSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - PubMed (29313358)
ChEBI Ontology
Outgoing Relation(s)
17-O-methyltricycloalternarene D (CHEBI:208799) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2S,6R)-6-[(3aR,7R,9aS)-7-methoxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]-2-methylheptyl] acetate
Manual XrefsDatabases
71048421ChemSpider