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CHEBI:204966 - Berkchaetoazaphilone C

ChEBI IDCHEBI:204966
ChEBI NameBerkchaetoazaphilone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILESCCCCCCCCCC(=O)C[C@@H]1C2=COC(C[C@H](C)O)=CC2=CC(=O)[C@]1(C)O
InChIInChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-19(26)15-22-21-16-29-20(12-17(2)25)13-18(21)14-23(27)24(22,3)28/h13-14,16-17,22,25,28H,4-12,15H2,1-3H3/t17-,22+,24+/m0/s1
InChIKeyKWLPMOKGFOGTQX-VXWZWFMZSA-N
Species of MetaboliteComponentSourceComments
Pleurostomaspecies (ncbitaxon:2173843) - PubMed (26641525)
ChEBI Ontology
Outgoing Relation(s)
Berkchaetoazaphilone C (CHEBI:204966) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(7R,8R)-7-hydroxy-3-[(2S)-2-hydroxypropyl]-7-methyl-8-(2-oxoundecyl)-8H-isochromen-6-one
Manual XrefsDatabases
58911804ChemSpider