CHEBI:3904 - Coumaphos anti-dimer

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Coumaphos anti-dimer
ChEBI ID CHEBI:3904
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H32Cl2O10P2S2
Net Charge 0
Average Mass 725.534
Monoisotopic Mass 724.02892
InChI InChI=1S/C28H32Cl2O10P2S2/c1-7-33-41(43,34-8-2)39-17-11-13-19-21(15-17)37-23(31)27(29)25(19,5)28(30)24(32)38-22-16-18(12-14-20(22)26(27,28)6)40-42(44,35-9-3)36-10-4/h11-16H,7-10H2,1-6H3/t25-,26+,27+,28-/m0/s1
InChIKey KPPSNIXPCINDBZ-HFLBTKGNSA-N
SMILES CCOP(=S)(OCC)Oc1ccc2c(OC(=O)[C@]3(Cl)[C@@]4(C)c5ccc(OP(=S)(OCC)OCC)cc5OC(=O)[C@]4(Cl)[C@@]23C)c1
ChEBI Ontology
Outgoing Coumaphos anti-dimer (CHEBI:3904) is a hydroxycoumarin (CHEBI:37912)
Synonym Source
Coumaphos anti-dimer KEGG COMPOUND
Manual Xref Database
C11026 KEGG COMPOUND
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Last Modified
28 July 2014