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CHEBI:208511 - Aspergixanthone F

ChEBI IDCHEBI:208511
ChEBI NameAspergixanthone F
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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](OC(C)=O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C28H32O9/c1-12(2)16-11-35-24-13(3)10-18-20(21(24)22(16)31)23(32)19-17(30)9-8-15(25(19)37-18)26(34-7)27(28(5,6)33)36-14(4)29/h8-10,16,22,26-27,30-31,33H,1,11H2,2-7H3/t16-,22-,26-,27-/m1/s1
InChIKeyLMKCBKDGBOGGFK-HMAFDYGFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30006520)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone F (CHEBI:208511) is a xanthones (CHEBI:51149)
IUPAC Name 
[(1R,2R)-1-[(1R,2S)-1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]-3-hydroxy-1-methoxy-3-methylbutan-2-yl] acetate
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68003741ChemSpider