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CHEBI:208506 - Aspergixanthone E

ChEBI IDCHEBI:208506
ChEBI NameAspergixanthone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O10
Net Charge0
Average Mass554.592
Monoisotopic Mass554.21520
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]1OC(C)=O
InChIInChI=1S/C30H34O10/c1-13(2)18-12-37-25-14(3)11-20-22(23(25)27(18)38-15(4)31)24(34)21-19(33)10-9-17(26(21)40-20)28(36-8)29(30(6,7)35)39-16(5)32/h9-11,18,27-29,33,35H,1,12H2,2-8H3/t18-,27-,28-,29-/m1/s1
InChIKeyFGSIRJWQNOHNKJ-QRJIFKHRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30006520)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone E (CHEBI:208506) is a xanthones (CHEBI:51149)
IUPAC Name 
[(1R,2S)-8-[(1R,2R)-2-acetyloxy-3-hydroxy-1-methoxy-3-methylbutyl]-11-hydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-1-yl] acetate
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68003740ChemSpider