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CHEBI:204322 - 12-deacetylphomoxanthone

ChEBI IDCHEBI:204322
ChEBI Name12-deacetylphomoxanthone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O15
Net Charge0
Average Mass708.669
Monoisotopic Mass708.20542
SMILESCC(=O)OC[C@@]12Oc3c(-c4ccc(O)c5c4O[C@]4(CO)C(=C5O)C(=O)C[C@H](C)[C@@H]4OC(C)=O)ccc(O)c3C(O)=C1C(=O)C[C@H](C)[C@@H]2OC(C)=O
InChIInChI=1S/C36H36O15/c1-14-10-23(43)27-29(45)25-21(41)8-6-19(31(25)50-35(27,12-37)33(14)48-17(4)39)20-7-9-22(42)26-30(46)28-24(44)11-15(2)34(49-18(5)40)36(28,51-32(20)26)13-47-16(3)38/h6-9,14-15,33-34,37,41-42,45-46H,10-13H2,1-5H3/t14-,15-,33-,34-,35+,36+/m0/s1
InChIKeyCJMACRHPNHADNA-PGQKKIPJSA-N
Species of MetaboliteComponentSourceComments
Diaporthe longicolla (ncbitaxon:54899) - PubMed (24295452)
ChEBI Ontology
Outgoing Relation(s)
12-deacetylphomoxanthone (CHEBI:204322) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(3S,4S,4aS)-5-[(5S,6S,10aS)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate
Manual XrefsDatabases
78437122ChemSpider