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10-Deoxysarpagine

PropertiesImage
MNX_IDMNXM1586039 Image of MNXM1586039
referencekeggC:C11635
formulaC19H22N2O
global charge0
mol weight294.398
InChIKeyVXTDUGOBAOLMED-GVAOPUKDSA-N
InChIInChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2+/t13-,15+,17?,18-/m0/s1
SMILESC/C=C1\CN2C3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@H]3CO
MNX internals
InChI (mnx)InChI=1/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2+/t13-,15+,17?,18-/m0/s1 Image of MNXM1586039
SMILES (mnx)[CH3:1]/[CH:2]=[C:11]1\[CH2:9][N:21]2[CH:17]3[CH2:8][c:14]4[c:12]5[cH:5][cH:3][cH:4][cH:6][c:16]5[nH:20][c:19]4[C@@H:18]2[CH2:7][C@@H:13]1[C@H:15]3[CH2:10][OH:22]
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

kegg.compound:C11635
keggC:C11635
VXTDUGOBAOLMED-GVAOPUKDSA-N
10-Deoxysarpagine
Sarpagan-17-ol

seed.compound:cpd08446
seedM:cpd08446
VXTDUGOBAOLMED-GVAOPUKDSA-N
Sarpagan-17-ol
10-Deoxysarpagine
10-deoxysarpagine
sarpagan-17-ol

keggC:M_C11635
seedM:M_cpd08446
secondary/obsolete/fantasy identifier