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CHEBI:203317 - Castochrin

ChEBI IDCHEBI:203317
ChEBI NameCastochrin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H22O12S
Net Charge0
Average Mass630.583
Monoisotopic Mass630.08320
SMILESCOC(=O)c1c(Sc2c(O)cc3oc4cc(C)cc(O)c4c(=O)c3c2C(=O)OC)c(O)cc2oc3cc(C)cc(O)c3c(=O)c12
InChIInChI=1S/C32H22O12S/c1-11-5-13(33)21-17(7-11)43-19-9-15(35)29(25(31(39)41-3)23(19)27(21)37)45-30-16(36)10-20-24(26(30)32(40)42-4)28(38)22-14(34)6-12(2)8-18(22)44-20/h5-10,33-36H,1-4H3
InChIKeyIOGVVQBWHVFMKJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (25265160)
ChEBI Ontology
Outgoing Relation(s)
Castochrin (CHEBI:203317) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 2-(3,8-dihydroxy-1-methoxycarbonyl-6-methyl-9-oxoxanthen-2-yl)sulanyl-3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
Manual XrefsDatabases
58119822ChemSpider