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CHEBI:111410 - 6-chloro-3-[2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one

ChEBI IDCHEBI:111410
ChEBI Name6-chloro-3-[2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one
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FormulaC25H23ClN2O7
Net Charge0
Average Mass498.919
Monoisotopic Mass498.11938
SMILESCc1c(CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(=O)oc2cc(O)c(Cl)cc12
InChIInChI=1S/C25H23ClN2O7/c1-14-15-10-17(26)18(29)12-21(15)35-25(32)16(14)11-23(30)27-6-8-28(9-7-27)24(31)22-13-33-19-4-2-3-5-20(19)34-22/h2-5,10,12,22,29H,6-9,11,13H2,1H3
InChIKeyYCOAROPTJJWRMT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-chloro-3-[2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one (CHEBI:111410) is a hydroxycoumarin (CHEBI:37912)
Manual XrefsDatabases
LSM-22866LINCS