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CHEBI:203574 - Epiremisporine B

ChEBI IDCHEBI:203574
ChEBI NameEpiremisporine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H24O12
Net Charge0
Average Mass576.510
Monoisotopic Mass576.12678
SMILESCOC(=O)C1(O)O[C@]2(C(=O)OC)c3c(oc4cc(C)cc(O)c4c3=O)[C@@H]3c4c(oc5cc(C)cc(O)c5c4=O)C[C@H]1[C@@H]32
InChIInChI=1S/C30H24O12/c1-10-5-13(31)18-15(7-10)40-17-9-12-22-21(20(17)24(18)33)26-23(25(34)19-14(32)6-11(2)8-16(19)41-26)29(22,27(35)38-3)42-30(12,37)28(36)39-4/h5-8,12,21-22,31-32,37H,9H2,1-4H3/t12-,21+,22-,29-,30?/m0/s1
InChIKeyRRGJMIUFDPLICY-JIBMBENZSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (26295241)
ChEBI Ontology
Outgoing Relation(s)
Epiremisporine B (CHEBI:203574) is a xanthones (CHEBI:51149)
IUPAC Name 
dimethyl (1S,12S,15S,27R)-8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate
Manual XrefsDatabases
78440952ChemSpider