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hordatine A

MNXM18540 is deprecated and here replaced by MNXM731986
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM731986Image of MNXM731986
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC28H38N8O4
charge0
mass550.3016
referencechebi:5762
InChIKeyKVYNYRIOAYQBFK-AIIPJEMGSA-N
InChIInChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m0/s1
SMILESN=C(N)NCCCCNC(=O)/C=C/c1ccc2c(c1)[C@H](C(=O)NCCCCNC(=N)N)[C@@H](c1ccc(O)cc1)O2
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:5762
chebi:5762 		hordatine A
(2S,3S)-N-(4-carbamimidamidobutyl)-5-{(1E)-3-[(4-carbamimidamidobutyl)amino]-3-oxoprop-1-en-1-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
kegg.compound:C08307
keggC:C08307 		Hordatine A
keggC:M_C08307 secondary/obsolete/fantasy identifier