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CHEBI:208494 - Aspergixanthone C

ChEBI IDCHEBI:208494
ChEBI NameAspergixanthone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O9
Net Charge0
Average Mass498.528
Monoisotopic Mass498.18898
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c([C@@H](O)[C@@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1OC(C)=O
InChIInChI=1S/C27H30O9/c1-11(2)15-10-34-23-12(3)9-17-19(20(23)25(15)35-13(4)28)22(31)18-16(29)8-7-14(24(18)36-17)21(30)26(32)27(5,6)33/h7-9,15,21,25-26,29-30,32-33H,1,10H2,2-6H3/t15-,21-,25-,26-/m1/s1
InChIKeyMSUKKAKNJDCWOC-RMMNZIBASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30006520)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone C (CHEBI:208494) is a xanthones (CHEBI:51149)
IUPAC Name 
[(1R,2S)-11-hydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-8-[(1R,2R)-1,2,3-trihydroxy-3-methylbutyl]-2,3-dihydro-1H-pyrano[3,2-a]xanthen-1-yl] acetate
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68003738ChemSpider