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CHEBI:191470 - 9-Oxoasimicinone

ChEBI IDCHEBI:191470
ChEBI Name9-Oxoasimicinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64O8
Net Charge0
Average Mass636.911
Monoisotopic Mass636.46012
SMILESCCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCCC(=O)CCCCC3CC(CC(C)=O)C(=O)O3)O2)O1
InChIInChI=1S/C37H64O8/c1-3-4-5-6-7-8-9-12-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-13-10-11-16-29(39)17-14-15-18-30-26-28(25-27(2)38)37(42)43-30/h28,30-36,40-41H,3-26H2,1-2H3
InChIKeyRAOZBXBUMCJFNW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
9-Oxoasimicinone (CHEBI:191470) is a polyketide (CHEBI:26188)
IUPAC Name 
5-[11-hydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
Manual XrefsDatabases
35013518ChemSpider
HMDB0032949HMDB