input word = C00011073

Metabolite InformationStructural formula
Name Delphinidin 3'-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside)
Formula C30H27O17
Mw 659.12482444
CAS RN
C_ID C00011073 ,
InChIKey NTUSWCPTMOVZEW-UBECBULFNA-O
InChICode InChI=1S/C30H26O17/c1-10(31)43-9-22-25(40)26(41)28(47-29(42)12-3-16(34)23(38)17(35)4-12)30(46-22)45-21-5-11(2-18(36)24(21)39)27-19(37)8-14-15(33)6-13(32)7-20(14)44-27/h2-8,22,25-26,28,30,40-41H,9H2,1H3,(H7-,32,33,34,35,36,37,38,39,42)/p+1/t22-,25+,26-,28+,30+/m0/s1
SMILES c1(c2c(cc(c1)O)[o+]c(c(c2)O)c1cc(c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea caerulea Ref.
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