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CHEBI:213211 - Dichlorodiaportintone

ChEBI IDCHEBI:213211
ChEBI NameDichlorodiaportintone
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SubmitterMetaboLights
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FormulaC16H14Cl2O7
Net Charge0
Average Mass389.187
Monoisotopic Mass388.01166
SMILESCOc1cc(O)c2c(=O)oc(C[C@@]3(C(Cl)Cl)C[C@@H](O)C(=O)O3)cc2c1
InChIInChI=1S/C16H14Cl2O7/c1-23-8-2-7-3-9(24-14(22)12(7)10(19)4-8)5-16(15(17)18)6-11(20)13(21)25-16/h2-4,11,15,19-20H,5-6H2,1H3/t11-,16+/m1/s1
InChIKeyWVPCKHBOHMSILA-BZNIZROVSA-N
ChEBI Ontology
Outgoing Relation(s)
Dichlorodiaportintone (CHEBI:213211) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[[(2R,4R)-2-(dichloromethyl)-4-hydroxy-5-oxooxolan-2-yl]methyl]-8-hydroxy-6-methoxyisochromen-1-one
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