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CHEBI:214088 - Aspergixanthone I

ChEBI IDCHEBI:214088
ChEBI NameAspergixanthone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O8
Net Charge0
Average Mass482.529
Monoisotopic Mass482.19407
SMILESC=C(C)[C@@H]1COc2c(C)cc3oc4c(C[C@H](OC(C)=O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C27H30O8/c1-12(2)16-11-33-25-13(3)9-18-21(22(25)23(16)30)24(31)20-17(29)8-7-15(26(20)35-18)10-19(27(5,6)32)34-14(4)28/h7-9,16,19,23,29-30,32H,1,10-11H2,2-6H3/t16-,19-,23+/m0/s1
InChIKeyMVIYDMFZAYXAHI-BTCOZLQPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30181432)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone I (CHEBI:214088) is a xanthones (CHEBI:51149)
IUPAC Name 
[(2S)-1-[(1R,2R)-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-3-methylbutan-2-yl] acetate
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78439271ChemSpider