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(16R,19E)-isositsirikine

PropertiesImage
MNX_IDMNXM101476 Image of MNXM101476
referencechebi:70508
formulaC21H26N2O3
global charge0
mol weight354.45
InChIKeyRGXKJLTVROJBKZ-LZNZQLKFSA-N
InChIInChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1
SMILESC/C=C1/CN2CCC3=C(NC4=C3C=CC=C4)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC
MNX internals
InChI (mnx)InChI=1/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1 Image of MNXM101476
SMILES (mnx)[CH3:1]/[CH:3]=[C:13]1/[CH2:11][N:23]2[CH2:9][CH2:8][C:15]3=[C:20]([C@@H:19]2[CH2:10][C@@H:16]1[C@H:17]([CH2:12][OH:24])[C:21](=[O:25])[O:26][CH3:2])[NH:22][C:18]1=[CH:7][CH:5]=[CH:4][CH:6]=[C:14]31
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:70508
chebi:70508
RGXKJLTVROJBKZ-LZNZQLKFSA-N 		(16R,19E)-isositsirikine
(16R)-E-isositsirikine
16(R)-19,20-E-isositsirikine
16(R)-E-isositsirikine
16R,19E-isositsirikine
16R-19,20-E-isositsirikine
methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate

metacyc.compound:CPD-21555
metacycM:CPD-21555
RGXKJLTVROJBKZ-LZNZQLKFSA-N 		(16R,19E)-isositsirikine