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17-O-acetylajmaline

MNXM4256 is deprecated and here replaced by MNXM1371713
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371713 Image of MNXM1371713
referencechebi:58679
formulaC22H29N2O3
global charge1
mol weight369.485
InChIKeySRISWFJLVRCABV-HUXZXPIYSA-O
InChIInChI=1S/C22H28N2O3/c1-4-12-13-9-16-19-22(14-7-5-6-8-15(14)23(19)3)10-17(24(16)21(12)26)18(13)20(22)27-11(2)25/h5-8,12-13,16-21,26H,4,9-10H2,1-3H3/p+1/t12-,13-,16-,17-,18?,19-,20+,21+,22+/m0/s1
SMILESCC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=C(C=CC=C5)[C@]45C[C@@H](C2[C@H]5OC(C)=O)[NH+]3[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C22H28N2O3/c1-4-12-13-9-16-19-22(14-7-5-6-8-15(14)23(19)3)10-17(24(16)21(12)26)18(13)20(22)27-11(2)25/h5-8,12-13,16-21,26H,4,9-10H2,1-3H3/t12-,13-,16-,17-,18?,19-,20+,21+,22+/m0/s1 Image of MNXM1371713
SMILES (mnx)[CH3:1][CH2:4][C@H:12]1[C@@H:13]2[CH2:9][C@H:16]3[C@H:19]4[C@@:22]5([CH2:10][C@@H:17]([CH:18]2[C@H:20]5[O:27][C:11]([CH3:2])=[O:25])[N:24]3[C@@H:21]1[OH:26])[C:14]1=[CH:7][CH:5]=[CH:6][CH:8]=[C:15]1[N:23]4[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58679
chebi:58679
SRISWFJLVRCABV-HUXZXPIYSA-O 		17-O-acetylajmaline
(17R,21alpha)-21-hydroxyajmalan-4-ium-17-yl acetate
17-O-acetylajmalinium

kegg.compound:C15985
keggC:C15985
vmhM:17oajmln
vmhmetabolite:17oajmln
SRISWFJLVRCABV-HUXZXPIYSA-N 		17-O-Acetylajmaline

seed.compound:cpd14709
seedM:cpd14709
SRISWFJLVRCABV-NRAHBSDYSA-N 		17-O-Acetylajmaline
17-O-acetylajmaline

CHEBI:37674
chebi:37674
SRISWFJLVRCABV-HUXZXPIYSA-N 		17-O-acetylajmaline
21alpha-hydroxyajmalan-17alpha-yl acetate

keggC:M_C15985
seedM:M_cpd14709
vmhM:M_17oajmln 		secondary/obsolete/fantasy identifier