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CHEBI:214100 - Aspergixanthone K

ChEBI IDCHEBI:214100
ChEBI NameAspergixanthone K
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SubmitterMetaboLights
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FormulaC26H28O7
Net Charge0
Average Mass452.503
Monoisotopic Mass452.18350
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c([C@@H](OC)[C@@H](O)C(=C)C)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C26H28O7/c1-11(2)15-10-32-24-13(5)9-17-19(20(24)22(15)29)23(30)18-16(27)8-7-14(25(18)33-17)26(31-6)21(28)12(3)4/h7-9,15,21-22,26-29H,1,3,10H2,2,4-6H3/t15-,21+,22-,26-/m1/s1
InChIKeyIDULGMFKHUPETB-HLOKDREVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30181432)
ChEBI Ontology
Outgoing Relation(s)
Aspergixanthone K (CHEBI:214100) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2S)-1,11-dihydroxy-8-[(1R,2S)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
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78439273ChemSpider