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oripavine

MNXM5251 is deprecated and here replaced by MNXM737665
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737665 Image of MNXM737665
referencechebi:194499
formulaC18H20NO3
global charge1
mol weight298.362
InChIKeyZKLXUUYLEHCAMF-UUWFMWQGSA-O
InChIInChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/p+1/t12-,17+,18+/m1/s1
SMILESCOC1=CC=C2[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CC[NH+]3C)[C@H]1O5
MNX internals
InChI (mnx)InChI=1/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1 Image of MNXM737665
SMILES (mnx)[CH3:1][N:19]1[CH2:8][CH2:7][C@@:18]23[C:11]4=[CH:4][CH:6]=[C:14]([O:21][CH3:2])[C@@H:17]2[O:22][C:16]2=[C:13]([OH:20])[CH:5]=[CH:3][C:10](=[C:15]23)[CH2:9][C@H:12]41
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:194499
chebi:194499
ZKLXUUYLEHCAMF-UUWFMWQGSA-O 		oripavine
3-O-demethylthebaine cation
3-O-demethylthebaine(1+)
3-hydroxy-6-methoxy-17-methyl-5alpha-6,7,8,14-tetradehydro-4,5-epoxymorphinan-17-ium
oripavine cation
oripavine(1+)

kegg.compound:C06175
keggC:C06175
ZKLXUUYLEHCAMF-UUWFMWQGSA-N 		Oripavine

seed.compound:cpd03685
seedM:cpd03685
ZKLXUUYLEHCAMF-UUWFMWQGSA-O 		Oripavine
oripavine

metacyc.compound:CPD-7713
metacycM:CPD-7713
ZKLXUUYLEHCAMF-UUWFMWQGSA-O 		oripavine

CHEBI:7782
chebi:7782
ZKLXUUYLEHCAMF-UUWFMWQGSA-N 		oripavine
(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-6-methoxy-17-methylmorphinan-3-ol
3-O-demethylthebaine
6,7,8,14-tetradehydro-4,5alpha-epoxy-6-methoxy-17-methyl-morphinan-3-ol
6-methoxy-17-methyl-5alpha-6,7,8,14-tetradehydro-4,5-epoxymorphinan-3-ol

keggC:M_C06175
seedM:M_cpd03685 		secondary/obsolete/fantasy identifier