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CHEBI:225660 - Ent-paeciloketal A

ChEBI IDCHEBI:225660
ChEBI NameEnt-paeciloketal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O4
Net Charge0
Average Mass490.684
Monoisotopic Mass490.30831
SMILESCCCCCCCCC(=O)c1cccc2c1C=C(CCCCCCC)[C@]1(OCc3c(O)cccc31)O2
InChIInChI=1S/C32H42O4/c1-3-5-7-9-11-13-19-29(33)25-17-14-21-31-26(25)22-24(16-12-10-8-6-4-2)32(36-31)28-18-15-20-30(34)27(28)23-35-32/h14-15,17-18,20-22,34H,3-13,16,19,23H2,1-2H3/t32-/m0/s1
InChIKeyRCZIEUREMHXUHY-YTTGMZPUSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (26562481)
ChEBI Ontology
Outgoing Relation(s)
Ent-paeciloketal A (CHEBI:225660) is a butanone (CHEBI:22951)
IUPAC Name 
1-[(3S)-3'-heptyl-7-hydroxyspiro[1H-2-benzouran-3,2'-chromene]-5'-yl]nonan-1-one
Manual XrefsDatabases
44210824ChemSpider