input word = C00056317

Metabolite InformationStructural formula
Name 3-Feruloylpelargonidin 5-glucoside
Formula C31H29O13+
Mw 609.16081601
CAS RN 100595-04-8
C_ID C00056317
InChIKey GZUZYVPUPAMAAX-GVFKUQRYSA-O
InChICode InChI=1S/C31H28O13/c1-40-23-10-15(2-8-20(23)35)3-9-26(36)41-24-13-19-21(42-30(24)16-4-6-17(33)7-5-16)11-18(34)12-22(19)43-31-29(39)28(38)27(37)25(14-32)44-31/h2-13,25,27-29,31-32,37-39H,14H2,1H3,(H2-,33,34,35,36)/p+1/t25-,27-,28+,29-,31-/m1/s1
SMILES COc1cc(/C=C/C(=O)Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sp. Ref.
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OrganismRaphanus sp.
ReferenceKarrer, P. et al., Helv. Chim. Acta, 1927, 10, 67

1928, 12, 292 (isol, Monardein)