input word = C00011072

Metabolite InformationStructural formula
Name Delphinidin 3'-O-(2''-O-galloyl-beta-galactopyranoside)
Formula C28H25O16
Mw 617.11425975
CAS RN 740786-46-3
C_ID C00011072 ,
InChIKey UXXMDNQESOLZEI-VANMISNBNA-O
InChICode InChI=1S/C28H24O16/c29-8-20-23(38)24(39)26(44-27(40)10-2-14(32)21(36)15(33)3-10)28(43-20)42-19-4-9(1-16(34)22(19)37)25-17(35)7-12-13(31)5-11(30)6-18(12)41-25/h1-7,20,23-24,26,28-29,38-39H,8H2,(H7-,30,31,32,33,34,35,36,37,40)/p+1/t20-,23+,24+,26-,28-/m1/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)CO)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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