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CHEBI:211282 - Emerixanthone E

ChEBI IDCHEBI:211282
ChEBI NameEmerixanthone E
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SubmitterMetaboLights
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FormulaC27H30O9
Net Charge0
Average Mass498.528
Monoisotopic Mass498.18898
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c([C@H](OC(C)=O)[C@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C27H30O9/c1-11(2)15-10-34-23-12(3)9-17-19(20(23)21(15)30)22(31)18-16(29)8-7-14(24(18)36-17)25(35-13(4)28)26(32)27(5,6)33/h7-9,15,21,25-26,29-30,32-33H,1,10H2,2-6H3/t15-,21-,25+,26+/m1/s1
InChIKeyOGFUVAPDMJEJQX-TUZLUTMJSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO 05240 (ncbitaxon:1505926) - PubMed (29911443)
ChEBI Ontology
Outgoing Relation(s)
Emerixanthone E (CHEBI:211282) is a xanthones (CHEBI:51149)
IUPAC Name 
[(1S,2S)-1-[(1R,2S)-1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]-2,3-dihydroxy-3-methylbutyl] acetate
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