input word = C00006902

Metabolite InformationStructural formula
Name Malvidin 3-(6''-malonylglucoside)
Formula C26H27O15
Mw 579.1349952
CAS RN 122856-12-6
C_ID C00006902 ,
InChIKey ORZQHBRJUMAOIF-HCMSQKGBNA-O
InChICode InChI=1S/C26H26O15/c1-36-15-3-10(4-16(37-2)21(15)32)25-17(7-12-13(28)5-11(27)6-14(12)39-25)40-26-24(35)23(34)22(33)18(41-26)9-38-20(31)8-19(29)30/h3-7,18,22-24,26,33-35H,8-9H2,1-2H3,(H3-,27,28,29,30,32)/p+1/t18-,22+,23-,24-,26-/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)CC(=O)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHibiscus syriacus Ref.
PlantaeMalvaceaeLavatera maritima Ref.
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