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Cadabicine methyl ether

Properties

Image

Occurences in reactions

MNX_ID

MNXM120009

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

formula

C₂₆H₃₁N₃O₄

charge

mass

449.23146

reference

hmdb:HMDB0039857

InChIKey

IXYCICGPUOJVOW-QKPPEBSVSA-N

InChI

InChI=1S/C26H31N3O4/c1-32-23-12-7-21-9-14-26(31)28-17-3-2-15-27-16-4-18-29-25(30)13-8-20-5-10-22(11-6-20)33-24(23)19-21/h5-14,19,27H,2-4,15-18H2,1H3,(H,28,31)(H,29,30)/b13-8-,14-9-

SMILES

COc1ccc2cc1Oc1ccc(cc1)/C=C\C(O)=NCCCNCCCCN=C(O)/C=C\2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039857	Cadabicine methyl ether (8E,22E)-4-methoxy-2-oxa-11,16,20-triazatricyclo[22.2.2.1³,⁷]nonacosa-1(26),3,5,7(29),8,10,20,22,24,27-decaene-10,21-diol 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one Neodiosmin
hmdb:HMDB39857	secondary/obsolete/fantasy identifier