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senecionine N-oxide

MNXM4106 is deprecated and here replaced by MNXM1108193
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108193 Image of MNXM1108193
referencechebi:52070
formulaC18H25NO6
global charge0
mol weight351.399
InChIKeyPLGBHVNNYDZWGZ-GPUZEBNTSA-N
InChIInChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1
SMILESC/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
MNX internals
InChI (mnx)InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1 Image of MNXM1108193
SMILES (mnx)[CH3:1]/[CH:4]=[C:12]1/[CH2:9][C@@H:11]([CH3:2])[C@@:18]([CH3:3])([OH:22])[C:17](=[O:21])[O:24][CH2:10][C:13]2=[CH:5][CH2:7][N+:19]3([O-:23])[CH2:8][CH2:6][C@H:14]([C@@H:15]23)[O:25][C:16]1=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52070
chebi:52070
PLGBHVNNYDZWGZ-GPUZEBNTSA-N 		senecionine N-oxide
12-hydroxysenecionan-11,16-dione 4-oxide

kegg.compound:C15612
keggC:C15612
PLGBHVNNYDZWGZ-GPUZEBNTSA-N 		Senecionine N-oxide

seed.compound:cpd11261
seedM:cpd11261
PLGBHVNNYDZWGZ-GPUZEBNTSA-N 		Senecionine N-oxide
senecionine N-oxide

chebi:58880
keggC:M_C15612
seedM:M_cpd11261 		secondary/obsolete/fantasy identifier