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CHEBI:201090 - Berkchaetoazaphilone B

ChEBI IDCHEBI:201090
ChEBI NameBerkchaetoazaphilone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESCCCCCCCCCC(=O)[C@@]12O[C@@]13C1=COC(C[C@H](C)O)=CC1=CC(=O)[C@]3(C)OC2=O
InChIInChI=1S/C25H32O7/c1-4-5-6-7-8-9-10-11-20(27)24-22(29)31-23(3)21(28)14-17-13-18(12-16(2)26)30-15-19(17)25(23,24)32-24/h13-16,26H,4-12H2,1-3H3/t16-,23-,24-,25+/m0/s1
InChIKeyYEGUZQUADBNQFP-NBQXJWNKSA-N
Species of MetaboliteComponentSourceComments
Pleurostomaspecies (ncbitaxon:2173843) - PubMed (26641525)
ChEBI Ontology
Outgoing Relation(s)
Berkchaetoazaphilone B (CHEBI:201090) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,10R,13S)-13-decanoyl-5-[(2S)-2-hydroxypropyl]-10-methyl-4,11,14-trioxatetracyclo[8.4.0.01,13.02,7]tetradeca-2,5,7-triene-9,12-dione
Manual XrefsDatabases
58910852ChemSpider