CHEBI:31489 - dihydrocodeine phosphate

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ChEBI Name dihydrocodeine phosphate
ChEBI ID CHEBI:31489
Stars This entity has been manually annotated by a third party.
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Formulae C18H23NO3.H3O4P
C18H26NO7P
Net Charge 0
Average Mass 399.376
Monoisotopic Mass 399.14469
InChI InChI=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
InChIKey HFBYLYCMISIEMM-FFHNEAJVSA-N
SMILES [C@@]123C=4C5=C(C=CC4C[C@@H](N(CC1)C)[C@]2([H])CC[C@@H]([C@@H]3O5)O)OC.P(O)(O)(O)=O
ChEBI Ontology
Outgoing 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 phosphate KEGG COMPOUND
Manual Xref Database
D01481 KEGG DRUG
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Registry Number Type Source
24204-13-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017