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CHEBI:208488 - Aspergixanthone B

ChEBI IDCHEBI:208488
ChEBI NameAspergixanthone B
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SubmitterMetaboLights
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FormulaC26H30O8
Net Charge0
Average Mass470.518
Monoisotopic Mass470.19407
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]1O
InChIInChI=1S/C26H30O8/c1-11(2)14-10-33-22-12(3)9-16-18(19(22)20(14)28)21(29)17-15(27)8-7-13(23(17)34-16)24(32-6)25(30)26(4,5)31/h7-9,14,20,24-25,27-28,30-31H,1,10H2,2-6H3/t14-,20-,24-,25-/m1/s1
InChIKeyPPIPJGALHMEMHA-ZELQLRTASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30006520)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone B (CHEBI:208488) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2S)-8-[(1R,2R)-2,3-dihydroxy-1-methoxy-3-methylbutyl]-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
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68003737ChemSpider