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CHEBI:203277 - Dioschrin

ChEBI IDCHEBI:203277
ChEBI NameDioschrin
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SubmitterMetaboLights
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FormulaC33H26O13S
Net Charge0
Average Mass662.625
Monoisotopic Mass662.10941
SMILESCOC(=O)c1c(Sc2c(O)cc3oc4cc(C)cc(O)c4c(=O)c3c2C(=O)OC)c(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O
InChIInChI=1S/C33H26O13S/c1-12-6-14(34)22(15(35)7-12)28(39)24-19(43-3)10-17(37)30(26(24)32(41)44-4)47-31-18(38)11-21-25(27(31)33(42)45-5)29(40)23-16(36)8-13(2)9-20(23)46-21/h6-11,34-38H,1-5H3
InChIKeyPPQIFFLSOGIRFI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (25265160)
ChEBI Ontology
Outgoing Relation(s)
Dioschrin (CHEBI:203277) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 2-[3-(2,6-dihydroxy-4-methylbenzoyl)-6-hydroxy-4-methoxy-2-methoxycarbonylphenyl]sulanyl-3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
Manual XrefsDatabases
58121069ChemSpider