input word = C00006634

Metabolite InformationStructural formula
Name Pelargonidin 3-robinobioside
Formula C27H31O14
Mw 579.1713807
CAS RN 54594-31-9
C_ID C00006634 ,
InChIKey IFYOHQQBIKDHFT-BDHQUAPPNA-O
InChICode InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus canadensis Ref.
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OrganismCornus canadensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Du,HortScience,8,(1973),29

Du,Phytochem.,13,(1974),2002