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cyanidin 3-O-rutinoside

MNXM114499 is deprecated and here replaced by MNXM1103855
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103855

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

formula

C₂₇H₃₀O₁₅

charge

mass

594.15847

reference

chebi:58546

InChIKey

USNPULRDBDVJAO-FXCAAIILSA-N

InChI

InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c([O-])cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[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:58546 chebi:58546	cyanidin 3-O-rutinoside 3-{[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-olate cyanidin 3-O-rutinoside betaine
seed.compound:cpd05527 seedM:cpd05527	Cyanidin 3-O-rutinoside CYANIDIN-3-O-D-RHAMNOSYL-(1,6)-D-GLUCOSIDE Cyanidin 3-O-rhamnosylglucoside cyanidin 3-O-rhamnosylglucoside cyanidin-3-O-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside cyanidin-3-O-rutinoside
kegg.compound:C08620 keggC:C08620	Cyanidin 3-O-rutinoside Cyanidin 3-O-rhamnosylglucoside Keracyanin
hmdb:HMDB0031458	Cyanidin 3-rutinoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium Antirrhinin Ceracyanin Cyanidin 3-O-rhamnosylglucoside Cyanidin 3-rhamnoglucoside Cyanidin-3-rutinoside Cyaninoside Keracyanin Keracyanin, inn Meralop Noctilux Nyctalux Oleocyanin Prunicyanin Sambucin Sambucine
seed.compound:cpd26758 seedM:cpd26758	Cyanidin-3-O-rutinosides
metacyc.compound:CYANIDIN-3-O-RHAMNOSYLGLUCOSIDE metacycM:CYANIDIN-3-O-RHAMNOSYLGLUCOSIDE	cyanidin 3-O-rhamnosylglucoside CYANIDIN-3-O-D-RHAMNOSYL-(1,6)-D-GLUCOSIDE
CHEBI:28064 chebi:28064	cyanidin 3-O-rutinoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Cyanidin 3-O-rhamnosylglucoside Cyanidin 3-O-rutinoside Cyanidin 3-rhamnoglucoside
metacyc.compound:CPD-15001 metacycM:CPD-15001	cyanidin-3-O-rutinoside antirrhinin cyanidin 3-rhamnoglucoside cyanidin 3-rutinoside cyanidin-3-O-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside keracyanin sambucin
hmdb:HMDB31458 chebi:23430 chebi:3975 keggC:M_C08620 seedM:M_cpd05527 seedM:M_cpd26758	secondary/obsolete/fantasy identifier