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CHEBI:222355 - Emerixanthone C

ChEBI IDCHEBI:222355
ChEBI NameEmerixanthone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O7
Net Charge0
Average Mass468.546
Monoisotopic Mass468.21480
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c(C[C@H](OC)C(C)(C)OC)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C27H32O7/c1-13(2)16-12-33-25-14(3)10-18-21(22(25)23(16)29)24(30)20-17(28)9-8-15(26(20)34-18)11-19(31-6)27(4,5)32-7/h8-10,16,19,23,28-29H,1,11-12H2,2-7H3/t16-,19+,23-/m1/s1
InChIKeyZYENQXOKBJDPNM-BVZALQNUSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO 05240 (ncbitaxon:1505926) - PubMed (24879543)
ChEBI Ontology
Outgoing Relation(s)
Emerixanthone C (CHEBI:222355) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2S)-8-[(2S)-2,3-dimethoxy-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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32675153ChemSpider