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Isorhynchophylline

PropertiesImage
MNX_IDMNXM105840 Image of MNXM105840
referencechebi:70071
formulaC22H28N2O4
global charge0
mol weight384.476
InChIKeyDAXYUDFNWXHGBE-VKCGGMIFSA-N
InChIInChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1
SMILESCC[C@H]1CN2CC[C@@]3(C(=O)NC4=C3C=CC=C4)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
MNX internals
InChI (mnx)InChI=1/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1 Image of MNXM105840
SMILES (mnx)[CH3:1][CH2:4][C@H:14]1[CH2:12][N:24]2[CH2:10][CH2:9][C@:22]3([C:17]4=[CH:7][CH:5]=[CH:6][CH:8]=[C:18]4[N:23]=[C:21]3[OH:26])[C@@H:19]2[CH2:11][C@@H:15]1/[C:16](=[CH:13]\[O:27][CH3:2])[C:20](=[O:25])[O:28][CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70071
chebi:70071
DAXYUDFNWXHGBE-VKCGGMIFSA-N 		Isorhynchophylline
methyl(E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate

seed.compound:cpd17251
seedM:cpd17251
kegg.compound:C16980
keggC:C16980
DAXYUDFNWXHGBE-VKCGGMIFSA-N
DAXYUDFNWXHGBE-VKCGGMIFSA-O 		Isorhynchophylline

keggC:M_C16980
seedM:M_cpd17251 		secondary/obsolete/fantasy identifier