input word = C00006742

Metabolite InformationStructural formula
Name Malvidin 3,7-diglucoside
Formula C29H35O17
Mw 655.1874247
CAS RN 96407-95-3
C_ID C00006742 ,
InChIKey IUAKZUTTYXIABJ-OQSXKAOHNA-O
InChICode InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(32)5-11(6-14(12)43-27)42-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19+,21-,22-,23+,24-,25-,26+,28-,29-/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)O)c1cc(c(c(c1)OC)O)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeocarpaceaeAristotelia chilensis Ref.
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