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pelargonidin 3-O-beta-D-sambubioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM24447

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₆H₂₉O₁₄

charge

mass

565.15518

reference

chebi:74809

InChIKey

NKUOSFBSKVBOJC-AOBOYTTNSA-O

InChI

InChI=1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1

SMILES

OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[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:74809 chebi:74809	pelargonidin 3-O-beta-D-sambubioside 5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside Pelargonidin 3-sambubioside
seed.compound:cpd31135 seedM:cpd31135 kegg.compound:C20489 keggC:C20489	Pelargonidin 3-O-beta-D-sambubioside
seed.compound:cpd34919 seedM:cpd34919	pelargonidin 3-O-[2"-O-(xylosyl)] glucoside pelargonidin 3-O-beta-D-sambubioside pelargonidin 3-sambubioside
metacyc.compound:CPD-18091 metacycM:CPD-18091	pelargonidin 3-O-beta-D-sambubioside pelargonidin 3-O-[2"-O-(xylosyl)] glucoside pelargonidin 3-sambubioside
keggC:M_C20489 seedM:M_cpd31135 seedM:M_cpd34919	secondary/obsolete/fantasy identifier