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3alpha(S)-strictosidine

Properties

Image

Occurences in reactions

MNX_ID

MNXM728173

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₂₇H₃₅N₂O₉

charge

mass

531.582

reference

chebi:58193

InChIKey

XBAMJZTXGWPTRM-NTXHKPOFSA-O

InChI

InChI=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

SMILES

[CH2:1]=[CH:3][C@@H:13]1[C@H:16]([CH2:10][C@H:19]2[c:21]3[c:15]([c:14]4[cH:6][cH:4][cH:5][cH:7][c:18]4[nH:29]3)[CH2:8][CH2:9][NH:28]2)[C:17]([C:25](=[O:34])[O:35][CH3:2])=[CH:12][O:36][C@H:26]1[O:38][C@H:27]1[C@H:24]([OH:33])[C@@H:23]([OH:32])[C@H:22]([OH:31])[C@@H:20]([CH2:11][OH:30])[O:37]1

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:58193 chebi:58193	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	3-alpha(S)-Strictosidine Strictosidine
CHEBI:17559 chebi:17559	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
chebi:11741 chebi:15122 chebi:1674 chebi:19957 chebi:26792 chebi:26794 keggC:M_C03470	secondary/obsolete/fantasy identifier