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kaempferol 3-beta-gentiobioside

MNXM58734 is deprecated and here replaced by MNXM738503
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738503

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₇H₃₀O₁₆

charge

mass

610.15338

reference

chebi:136785

InChIKey

BITPRCODIALMOV-DEFKTLOSSA-N

InChI

InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1

SMILES

O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136785 chebi:136785	kaempferol 3-beta-gentiobioside 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucosyl-beta-D-glucoside 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucoside Kaempferol 3-O-gentiobioside kaempferol 3-O-beta-gentiobioside kaempferol 3-gentiobioside kaempferol beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside kaempferol beta-D-glucosyl-(1->6)-beta-D-glucoside kaempferol-3-gentiobioside
metacyc.compound:CPD-14847 metacycM:CPD-14847 seed.compound:cpd32881 seedM:cpd32881	kaempferol 3-O-beta-gentiobioside kaempferol-3-gentiobioside
seedM:M_cpd32881	secondary/obsolete/fantasy identifier