input word = C00060409

Metabolite InformationStructural formula
Name Cyanidin 3-O-coumaroylglucoside-5-O-glucoside
Formula C36H37O18
Mw 757.19798938
CAS RN 178033-56-2
C_ID C00060409
InChIKey YPXWWSJGANMFFQ-AQAMAIGXSA-O
InChICode InChI=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)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
SMILES O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataePerilla frutescens Ref.
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