input word = C00006876

Metabolite InformationStructural formula
Name Delphinidin 3-(6''-acetylglucoside)
Formula C23H23O13
Mw 507.11386582
CAS RN 129031-46-5,122711-00-6,66594-00-1
C_ID C00006876 ,
InChIKey QPXIWIXIRHZIMM-RVBSYNOMNA-O
InChICode InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
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