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CHEBI:208500 - Aspergixanthone D

ChEBI IDCHEBI:208500
ChEBI NameAspergixanthone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
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]1O
InChIInChI=1S/C25H28O8/c1-10(2)13-9-32-22-11(3)8-15-17(18(22)19(13)27)21(29)16-14(26)7-6-12(23(16)33-15)20(28)24(30)25(4,5)31/h6-8,13,19-20,24,26-28,30-31H,1,9H2,2-5H3/t13-,19+,20+,24+/m0/s1
InChIKeyALFVOQJWLAVUQQ-HFRKXTCESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30006520)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone D (CHEBI:208500) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2R)-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-8-[(1R,2R)-1,2,3-trihydroxy-3-methylbutyl]-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
Manual XrefsDatabases
68003739ChemSpider