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3alpha(S)-strictosidine

PropertiesImage
MNX_IDMNXM728173 Image of MNXM728173
referencechebi:58193
formulaC27H35N2O9
global charge1
mol weight531.582
InChIKeyXBAMJZTXGWPTRM-NTXHKPOFSA-O
InChIInChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/p+1/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1
SMILESC=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1[NH2+]CCc2c1[nH]c1ccccc21
MNX internals
InChI (mnx)InChI=1/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1 Image of MNXM728173
SMILES (mnx)[CH:1]1=[C:19]([C:21](=[CH2:20])[CH2:22][CH3:23])[C@H:2]([O:38][C@@H:13]2[C:3]3=[C:4]([CH2:6][CH2:5][CH2:15]2)[c:7]2[c:8]([cH:9][cH:12][cH:11][cH:10]2)[CH2:14]3)[CH:16]([CH:17]=[CH2:18])[C@@H:25]([CH2:26][C@H:27]2[N:28]([NH2:29])[O@:33]([OH:34])[O@@:30]([OH:31])[O@:35]([O:36][OH:37])[O:32]2)[CH2:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58193
chebi:58193
XBAMJZTXGWPTRM-NTXHKPOFSA-O 		3alpha(S)-strictosidine
(2S,3R,4S)-5-(methoxycarbonyl)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-2-yl beta-D-glucopyranoside
3alpha(S)-strictosidinium
3alpha(S)-strictosidinium cation
3alpha(S)-strictosidinium(1+)

kegg.compound:C03470
keggC:C03470
XBAMJZTXGWPTRM-NTXHKPOFSA-N 		3-alpha(S)-Strictosidine
Strictosidine

metacyc.compound:STRICTOSIDINE
metacycM:STRICTOSIDINE
XBAMJZTXGWPTRM-NTXHKPOFSA-O 		3-alpha(S)-strictosidine
strictosidine

CHEBI:17559
chebi:17559
XBAMJZTXGWPTRM-NTXHKPOFSA-N 		3alpha(S)-strictosidine
3-alpha(S)-Strictosidine
Strictosidine
methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate

seed.compound:cpd02193
seedM:cpd02193
XBAMJZTXGWPTRM-NTXHKPOFSA-O 		Strictosidine
3-alpha(S)-Strictosidine
3-alpha(S)-strictosidine
strictosidine

chebi:11741
chebi:15122
chebi:1674
chebi:19957
chebi:26792
chebi:26794
keggC:M_C03470
seedM:M_cpd02193 		secondary/obsolete/fantasy identifier