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CHEBI:226990 - Emerixanthone A

ChEBI IDCHEBI:226990
ChEBI NameEmerixanthone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27ClO6
Net Charge0
Average Mass458.938
Monoisotopic Mass458.14962
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)Cl)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C25H27ClO6/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)29)22(30)18-15(27)7-6-13(24(18)32-16)9-17(28)25(4,5)26/h6-8,14,17,21,27-29H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1
InChIKeyZBWJGCYJNCJUFS-DAESXHAQSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO 05240 (ncbitaxon:1505926) - PubMed (24879543)
ChEBI Ontology
Outgoing Relation(s)
Emerixanthone A (CHEBI:226990) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2S)-8-[(2S)-3-chloro-2-hydroxy-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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26630442ChemSpider