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morphinone

MNXM732895 is deprecated and replaced by MNXM732894
PropertiesImage
MNX_IDMNXM732894 Image of MNXM732894
referencechebi:57728
formulaC17H18NO3
global charge1
mol weight284.335
InChIKeyPFBSOANQDDTNGJ-YNHQPCIGSA-O
InChIInChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/p+1/t10-,11+,16-,17-/m0/s1
SMILESC[NH+]1CC[C@]23C4=C5O[C@H]2C(=O)C=C[C@H]3[C@H]1CC4=CC=C5O
MNX internals
InChI (mnx)InChI=1/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1 Image of MNXM732894
SMILES (mnx)[CH3:1][N:18]1[CH2:7][CH2:6][C@@:17]23[C@H:10]4[CH:3]=[CH:5][C:13](=[O:20])[C@@H:16]2[O:21][C:15]2=[C:12]([OH:19])[CH:4]=[CH:2][C:9](=[C:14]23)[CH2:8][C@H:11]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:57728
chebi:57728
PFBSOANQDDTNGJ-YNHQPCIGSA-O 		morphinone
3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxy-5alpha-morphinan-17-ium-6-one
morphiniumone cation
morphiniumone(1+)
morphinone cation

sabiork.compound:5761
sabiorkM:5761
kegg.compound:C01735
keggC:C01735
vmhM:mrphnn
vmhmetabolite:mrphnn
PFBSOANQDDTNGJ-YNHQPCIGSA-N
PFBSOANQDDTNGJ-YNHQPCIGSA-O 		Morphinone
hmdb:HMDB0003563
PFBSOANQDDTNGJ-YNHQPCIGSA-N 		Morphinone
(1S,5R,13R,17R)-10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-14-one
Didehydro-4,5-a-epoxy-3-hydroxy-17-methylmorphinan-6-one
Didehydro-4,5-alpha-epoxy-3-hydroxy-17-methylmorphinan-6-one
morphinone

seed.compound:cpd01196
seedM:cpd01196
PFBSOANQDDTNGJ-YNHQPCIGSA-O 		Morphinone
morphinone

metacyc.compound:MORPHINONE
metacycM:MORPHINONE
PFBSOANQDDTNGJ-YNHQPCIGSA-O 		morphinone

CHEBI:16315
chebi:16315
PFBSOANQDDTNGJ-YNHQPCIGSA-N 		morphinone
3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxy-5alpha-morphinan-6-one
Didehydro-4,5-alpha-epoxy-3-hydroxy-17-methylmorphinan-6-one
Morphinone

hmdb:HMDB03563
chebi:14623
chebi:25420
chebi:7004
keggC:M_C01735
seedM:M_cpd01196
vmhM:M_mrphnn 		secondary/obsolete/fantasy identifier