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catharanthine

MNXM5658 is deprecated and here replaced by MNXM738262
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738262 Image of MNXM738262
referencechebi:142675
formulaC21H25N2O2
global charge1
mol weight337.443
InChIKeyCMKFQVZJOWHHDV-NQZBTDCJSA-O
InChIInChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/p+1/t13-,19+,21-/m0/s1
SMILESCCC1=C[C@@H]2C[NH+]3CCC4=C(NC5=CC=CC=C54)[C@@](C(=O)OC)(C2)[C@@H]13
MNX internals
InChI (mnx)InChI=1/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1 Image of MNXM738262
SMILES (mnx)[CH3:1][CH2:3][C:14]1=[CH:10][C@H:13]2[CH2:11][C@:21]3([C:20](=[O:24])[O:25][CH3:2])[C:18]4=[C:16]([CH2:8][CH2:9][N:23]([CH2:12]2)[C@H:19]13)[C:15]1=[CH:6][CH:4]=[CH:5][CH:7]=[C:17]1[NH:22]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142675
chebi:142675
CMKFQVZJOWHHDV-NQZBTDCJSA-O 		catharanthine
(2alpha,18beta)-18-(methoxycarbonyl)-3,4-didehydroibogamin-6-ium
catharanthine(1+)

kegg.compound:C09107
keggC:C09107
CMKFQVZJOWHHDV-NQZBTDCJSA-N 		Catharanthine

seed.compound:cpd06003
seedM:cpd06003
CMKFQVZJOWHHDV-NQZBTDCJSA-O 		Catharanthine
catharanthine

metacyc.compound:CPD-7859
metacycM:CPD-7859
CMKFQVZJOWHHDV-NQZBTDCJSA-O 		catharanthine

CHEBI:3469
chebi:3469
CMKFQVZJOWHHDV-NQZBTDCJSA-N 		catharanthine
methyl (2alpha,18beta)-3,4-didehydroibogamine-18-carboxylate

keggC:M_C09107
seedM:M_cpd06003 		secondary/obsolete/fantasy identifier