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dalnigrein 7-O-beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM8516

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

formula

C₃₀H₃₆O₁₆

charge

mass

652.20034

reference

metacycM:CPD-9695

InChIKey

OBZQFWQGMXWKEI-FNVGUSKRSA-N

InChI

InChI=1S/C30H36O16/c1-38-16-7-20(41-4)18(39-2)5-13(16)15-9-42-17-8-21(19(40-3)6-14(17)23(15)32)45-28-26(35)25(34)24(33)22(46-28)10-43-29-27(36)30(37,11-31)12-44-29/h5-9,22,24-29,31,33-37H,10-12H2,1-4H3/t22-,24+,25-,26+,27-,28+,29+,30+/m0/s1

SMILES

COc1cc(OC)c(-c2coc3cc(O[C@@H]4O[C@@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3c2=O)cc1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-9695 metacycM:CPD-9695	dalnigrein 7-O-beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside 7-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy) isoflavonoid 7-hydroxy-2',4',5',6-tetramethoxy-7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside dalnigrein glycoside
seed.compound:cpd25787 seedM:cpd25787	7-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy) isoflavonoid 7-hydroxy-2',4',5',6-tetramethoxy-7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside dalnigrein 7-O-beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside dalnigrein glycoside
seedM:M_cpd25787	secondary/obsolete/fantasy identifier