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CHEBI:198944 - Berkchaetoazaphilone A

ChEBI IDCHEBI:198944
ChEBI NameBerkchaetoazaphilone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESCCCCCCCCCC(=O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C[C@H](C)O)OC=C3[C@@H]12
InChIInChI=1S/C25H34O6/c1-4-5-6-7-8-9-10-11-20(27)22-23-19-15-30-18(12-16(2)26)13-17(19)14-21(28)25(23,3)31-24(22)29/h13-16,22-23,26H,4-12H2,1-3H3/t16-,22-,23-,25-/m0/s1
InChIKeyNOYCARDZFHRQBB-XNHCRPTKSA-N
Species of MetaboliteComponentSourceComments
Pleurostomaspecies (ncbitaxon:2173843) - PubMed (26641525)
ChEBI Ontology
Outgoing Relation(s)
Berkchaetoazaphilone A (CHEBI:198944) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9R,9aR)-9-decanoyl-3-[(2S)-2-hydroxypropyl]-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
58910851ChemSpider