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CHEBI:31489 - dihydrocodeine phosphate

ChEBI IDCHEBI:31489
ChEBI Namedihydrocodeine phosphate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC18H23NO3.H3O4P
Net Charge0
Average Mass399.380
Monoisotopic Mass399.14469
SMILESO=P(O)(O)O.[H][C@@]12CC[C@H](O)[C@@H]3Oc4c(OC)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=1S/C18H23NO3.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;(H3,1,2,3,4)/t11-,12+,13-,17-,18-;/m0./s1
InChIKeyHFBYLYCMISIEMM-FFHNEAJVSA-N
ChEBI Ontology
Outgoing Relation(s)
dihydrocodeine phosphate (CHEBI:31489) has functional parent codeine (CHEBI:16714)
dihydrocodeine phosphate (CHEBI:31489) is a alkaloid phosphate (CHEBI:37506)
dihydrocodeine phosphate (CHEBI:31489) is a organoammonium phosphate (CHEBI:37509)
Synonym  Source
Dihydrocodeine phosphateKEGG COMPOUND
Manual XrefsDatabases
D01481KEGG DRUG
Registry NumbersSources
CAS:24204-13-5KEGG COMPOUND