input word = C00038883

Metabolite InformationStructural formula
Name Cyanidin 3,5-di-O-glucoside
Formula C27H31O16
Mw 611.16120995
CAS RN 20905-74-2
C_ID C00038883 ,
InChIKey RDFLLVCQYHQOBU-UMNGYBOENA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22?,23-,24-,26-,27-/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrsinaceaeCyclamen persicum cv.Sierra Rose Ref.
PlantaePoaceaeTriticum aestivum Ref.
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