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pelargonidin 3-O-sophoroside

MNXM20335 is deprecated and here replaced by MNXM732304
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732304

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₃₁O₁₅

charge

mass

595.16575

reference

chebi:134007

InChIKey

HASVPNDDKSXPGU-WGNLCONDSA-O

InChI

InChI=1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-29,33-37H,8-9H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134007 chebi:134007	pelargonidin 3-O-sophoroside 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside Pelargonidin 3-sophoroside
kegg.compound:C16305 keggC:C16305	Pelargonidin 3-O-sophoroside
metacyc.compound:CPD-7843 metacycM:CPD-7843	pelargonidin 3-O-sophoroside
chebi:80437 keggC:M_C16305	secondary/obsolete/fantasy identifier