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 c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrsinaceaeCyclamen persicum cv.Sierra Rose Ref.
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OrganismCyclamen persicum cv.Sierra Rose
ReferenceWebby,Phytochem.,52,(1999),939