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CHEBI:44425 - (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM

Default Structure
ChEBI IDCHEBI:44425
ChEBI Name(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H24NO4
Net Charge+1
Average Mass342.415
Monoisotopic Mass342.16998
SMILES[H]Oc1c([H])c([H])c2c3c1O[C@@]1([H])C(=O)C([H])([H])C([H])([H])[C@]4(O[H])[C@@]31C([H])([H])C([H])([H])[N@@+](C([H])([H])[H])(C([H])([H])C([H])=C([H])[H])[C@]4([H])C2([H])[H]
InChIInChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1
InChIKeyPCSQOABIHJXZMR-YNUHATHGSA-O
ChEBI Ontology
Outgoing Relation(s)
(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM (CHEBI:44425) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUMPDBeChem
(5alpha,17S)-3,14-dihydroxy-17-methyl-17-prop-2-en-1-yl-4,5-epoxymorphinan-17-ium-6-onePDBeChem
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