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CHEBI:201732 - Penexanthone A

ChEBI IDCHEBI:201732
ChEBI NamePenexanthone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O15
Net Charge0
Average Mass708.669
Monoisotopic Mass708.20542
SMILESCC(=O)OC[C@]12Oc3c(-c4ccc5c(c4O)C(O)=C4C(=O)C[C@@H](C)[C@@H](OC(C)=O)[C@@]4(CO)O5)ccc(O)c3C(O)=C1C(=O)C[C@@H](C)[C@H]2OC(C)=O
InChIInChI=1S/C36H36O15/c1-14-10-22(42)27-31(46)26-24(50-35(27,12-37)33(14)48-17(4)39)9-7-19(29(26)44)20-6-8-21(41)25-30(45)28-23(43)11-15(2)34(49-18(5)40)36(28,51-32(20)25)13-47-16(3)38/h6-9,14-15,33-34,37,41,44-46H,10-13H2,1-5H3/t14-,15-,33-,34-,35+,36+/m1/s1
InChIKeyUSOJRHBNMMQMLV-NKSNWBLISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22458669)
ChEBI Ontology
Outgoing Relation(s)
Penexanthone A (CHEBI:201732) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate
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78436770ChemSpider