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CHEBI:208482 - Aspergixanthone A

ChEBI IDCHEBI:208482
ChEBI NameAspergixanthone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O9
Net Charge0
Average Mass512.555
Monoisotopic Mass512.20463
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c([C@@H](OC)[C@@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1OC(C)=O
InChIInChI=1S/C28H32O9/c1-12(2)16-11-35-23-13(3)10-18-20(21(23)25(16)36-14(4)29)22(31)19-17(30)9-8-15(24(19)37-18)26(34-7)27(32)28(5,6)33/h8-10,16,25-27,30,32-33H,1,11H2,2-7H3/t16-,25-,26-,27-/m1/s1
InChIKeyFAILLCWFDASZHL-GFNNBAJCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30006520)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone A (CHEBI:208482) is a xanthones (CHEBI:51149)
IUPAC Name 
[(1R,2S)-8-[(1R,2R)-2,3-dihydroxy-1-methoxy-3-methylbutyl]-11-hydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-1-yl] acetate
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68003736ChemSpider