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CHEBI:215925 - Asperanthone

ChEBI IDCHEBI:215925
ChEBI NameAsperanthone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O7
Net Charge0
Average Mass464.514
Monoisotopic Mass464.18350
SMILESC=C(C)C(O)Cc1ccc(O)c2c(=O)c3c4c(c(C)cc3oc12)OC[C@@H](C(=C)C)[C@@H]4OC(C)=O
InChIInChI=1S/C27H28O7/c1-12(2)17-11-32-25-14(5)9-20-22(23(25)27(17)33-15(6)28)24(31)21-18(29)8-7-16(26(21)34-20)10-19(30)13(3)4/h7-9,17,19,27,29-30H,1,3,10-11H2,2,4-6H3/t17-,19?,27-/m0/s1
InChIKeyVPPUNOXCKFHURD-PNGUEYMGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30294975)
ChEBI Ontology
Outgoing Relation(s)
Asperanthone (CHEBI:215925) is a xanthones (CHEBI:51149)
IUPAC Name 
[(1S,2R)-11-hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-1-yl] acetate