Feedback

Cyanidin 3-O-(6-O-para-coumaroyl)glucoside-5-O-glucoside

PropertiesImageOccurences in reactions
MNX_IDMNXM3712Image of MNXM3712
#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
formulaC36H36O18
charge0
mass756.66024
referencechebi:29561
InChIKeyYPXWWSJGANMFFQ-AQAMAIGXSA-N
InChIInChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
SMILESOC[C@H]1O[C@@H](Oc2cc([O-])cc3[o+]c(c(O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc23)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:29561
chebi:29561
Cyanidin 3-O-(6-O-para-coumaroyl)glucoside-5-O-glucoside
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside
Shisonin
sabiork.compound:14133
sabiorkM:14133
kegg.compound:C12096
keggC:C12096
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside
Shisonin
seed.compound:cpd08879
seedM:cpd08879
Shisonin
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside
shisonin
metacyc.compound:CPD-7714
metacycM:CPD-7714
shisonin
keggC:M_C12096
seedM:M_cpd08879
secondary/obsolete/fantasy identifier