input word = C00006798

Metabolite InformationStructural formula
Name Cyanidin 3-(2''-galloylglucoside)
Formula C28H25O15
Mw 601.11934513
CAS RN 140447-90-1
C_ID C00006798 ,
InChIKey WUJWGTHCPFBYPP-ZNTFLLEWNA-O
InChICode InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23-,24+,26-,28-/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)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAceraceaeDipteronia sinensis Ref.
PlantaeSapindaceaeAcer platanoides Ref.
PlantaeSapindaceaeAcer pycnanthum Ref.
PlantaeSapindaceaeAcer rubrum Ref.
PlantaeSapindaceaeAcer saccharum Ref.
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