input word = C00014788

Metabolite InformationStructural formula
Name Delphinidin 3-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside)
Formula C30H27O17
Mw 659.12482444
CAS RN 197250-30-9
C_ID C00014788 ,
InChIKey QUZHAQRUXCOSEQ-ULFWUXKZNA-O
InChICode InChI=1S/C30H26O17/c1-10(31)43-9-22-25(40)26(41)28(47-29(42)12-4-18(36)24(39)19(37)5-12)30(46-22)45-21-8-14-15(33)6-13(32)7-20(14)44-27(21)11-2-16(34)23(38)17(35)3-11/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 CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea alba Ref.
PlantaeNymphaeaceaeNymphaea marliacea Ref.
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