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delphinidin 3-O-beta-D-sambubioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM25771

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₆H₂₉O₁₆

charge

mass

597.14501

reference

chebi:74810

InChIKey

TWYYVOVDSNRIJM-AFAGGVQESA-O

InChI

InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17-,19+,20-,21+,22-,24-,25+,26-/m1/s1

SMILES

OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74810 chebi:74810	delphinidin 3-O-beta-D-sambubioside 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside Delphinidin 3-sambubioside
seed.compound:cpd31137 seedM:cpd31137 kegg.compound:C20491 keggC:C20491	Delphinidin 3-O-beta-D-sambubioside
seed.compound:cpd33327 seedM:cpd33327	delphinidin 3-O-[2"-O-(xylosyl)] glucoside delphinidin 3-O-beta-D-sambubioside delphinidin 3-sambubioside
metacyc.compound:CPD-18092 metacycM:CPD-18092	delphinidin 3-O-beta-D-sambubioside delphinidin 3-O-[2"-O-(xylosyl)] glucoside delphinidin 3-sambubioside
keggC:M_C20491 seedM:M_cpd31137 seedM:M_cpd33327	secondary/obsolete/fantasy identifier