input word = C00055484

Metabolite InformationStructural formula
Name Cyanidin 7-glucoside
Formula C21H21O11+
Mw 449.10838652
CAS RN 64963-51-5
C_ID C00055484
InChIKey TVVCZGFJTFZGTC-KBZJMGBCSA-O
InChICode InChI=1S/C22H22O10/c23-8-10-4-18(20(29)21(30)19(10)28)31-11-5-14(25)12-7-16(27)22(32-17(12)6-11)9-1-2-13(24)15(26)3-9/h1-3,5-7,10,18-21,23,28-30H,4,8H2,(H3-,24,25,26,27)/p+1/t10-,18-,19-,20+,21+/m1/s1
SMILES OC1=C(O)C=CC(C2=[O+]C(C=C(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C4O)=C4C=C2O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus fruticosus Ref.
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