input word = C00006685

Metabolite InformationStructural formula
Name Peonidin 3-gentiobioside
Formula C28H33O16
Mw 625.17686001
CAS RN
C_ID C00006685 ,
InChIKey DKVCDKCLHKKBNC-YYCYNUFWNA-O
InChICode InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)31)26-17(7-12-14(32)5-11(30)6-15(12)41-26)42-28-25(38)23(36)21(34)19(44-28)9-40-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-29,33-38H,8-9H2,1H3,(H2-,30,31,32)/p+1/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)C(O)C3O)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePrimulaceaePrimula sinensis Ref.
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OrganismPrimula sinensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Harborne,Phytochem.,2,(1963),85