input word = C00006641

Metabolite InformationStructural formula
Name Pelargonidin 3-rhamnoside-5-glucoside
Formula C27H31O14
Mw 579.1713807
CAS RN 53925-32-9
C_ID C00006641 ,
InChIKey MIRNSFCHJINZJP-DVERUMQFNA-O
InChICode InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(37-10)40-17-8-14-15(38-25(17)11-2-4-12(29)5-3-11)6-13(30)7-16(14)39-27-24(36)22(34)20(32)18(9-28)41-27/h2-8,10,18-24,26-28,31-36H,9H2,1H3,(H-,29,30)/p+1/t10-,18-,19-,20+,21+,22-,23-,24+,26-,27+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(cc1)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
PlantaeFabaceaeLathyrus odoratus Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeFabaceaePisum spp. Ref.
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OrganismPisum spp.
ReferenceKarrer,P.et al.,Helv.Chim.Acta,10,(1927),67