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Hordatine A glucoside

PropertiesImage
MNX_IDMNXM126547 Image of MNXM126547
referencechebi:192210
formulaC34H48N8O10
global charge0
mol weight728.804
InChIKeyAMKZPEMQNDGSIL-YHYXMXQVSA-N
InChIInChI=1S/C34H48N8O10/c35-33(36)41-13-3-1-11-39-24(45)10-5-18-15-21-25(31(49)40-12-2-4-14-42-34(37)38)29(52-30(21)22(44)16-18)19-6-8-20(9-7-19)50-32-28(48)27(47)26(46)23(17-43)51-32/h5-10,15-16,23,25-29,32,43-44,46-48H,1-4,11-14,17H2,(H,39,45)(H,40,49)(H4,35,36,41)(H4,37,38,42)/b10-5-
SMILESNC(N)=NCCCCNC(=O)/C=C\C1=CC2=C(OC(C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C2C(=O)NCCCCN=C(N)N)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C34H48N8O10/c35-33(36)41-13-3-1-11-39-24(45)10-5-18-15-21-25(31(49)40-12-2-4-14-42-34(37)38)29(52-30(21)22(44)16-18)19-6-8-20(9-7-19)50-32-28(48)27(47)26(46)23(17-43)51-32/h5-10,15-16,23,25-29,32,43-44,46-48H,1-4,11-14,17H2,(H,39,45)(H,40,49)(H4,35,36,41)(H4,37,38,42)/b10-5-/t23?,25?,26?,27?,28?,29?,32? Image of MNXM126547
SMILES (mnx)[CH2:1]([CH2:3][CH2:13][NH:41][C:33](=[NH:35])[NH2:36])[CH2:11]/[N:39]=[C:24](/[CH:10]=[CH:5]\[C:18]1=[CH:15][C:21]2=[C:30]([C:22]([OH:44])=[CH:16]1)[O:52][CH:29]([C:19]1=[CH:7][CH:9]=[C:20]([O:50][CH:32]3[CH:28]([OH:48])[CH:27]([OH:47])[CH:26]([OH:46])[CH:23]([CH2:17][OH:43])[O:51]3)[CH:8]=[CH:6]1)[CH:25]2[C:31](=[N:40][CH2:12][CH2:2][CH2:4][CH2:14][NH:42][C:34](=[NH:37])[NH2:38])[OH:49])[OH:45]
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:192210
chebi:192210
AMKZPEMQNDGSIL-YHYXMXQVSA-N
Hordatine A glucoside
N-[4-(diaminomethylideneamino)butyl]-5-[(Z)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-7-hydroxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzouran-3-carboxamide
hmdb:HMDB0030462
AMKZPEMQNDGSIL-YHYXMXQVSA-N
Hordatine A glucoside
N-(4-Carbamimidamidobutyl)-5-[(1Z)-2-[(4-carbamimidamidobutyl)-C-hydroxycarbonimidoyl]eth-1-en-1-yl]-7-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-3-carboximidate
N-(4-carbamimidamidobutyl)-5-[(1Z)-2-[(4-carbamimidamidobutyl)carbamoyl]eth-1-en-1-yl]-7-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-3-carboxamide

hmdb:HMDB30462
secondary/obsolete/fantasy identifier