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CHEBI:217314 - Chrysine B

ChEBI IDCHEBI:217314
ChEBI NameChrysine B
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SubmitterMetaboLights
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FormulaC19H18Cl2O8
Net Charge0
Average Mass445.251
Monoisotopic Mass444.03787
SMILESCCOC(=O)c1c(O)c(Cl)c(C)c(Cl)c1Oc1c(OC)cc(O)cc1C(=O)OC
InChIInChI=1S/C19H18Cl2O8/c1-5-28-19(25)12-15(23)13(20)8(2)14(21)17(12)29-16-10(18(24)27-4)6-9(22)7-11(16)26-3/h6-7,22-23H,5H2,1-4H3
InChIKeyYXRNBINBWSPBRC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29269234)
ChEBI Ontology
Outgoing Relation(s)
Chrysine B (CHEBI:217314) is a aromatic ether (CHEBI:35618)
IUPAC Name 
ethyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual XrefsDatabases
65790992ChemSpider