input word = C00048476

Metabolite InformationStructural formula
Name Malvidin 3-O-(6-O-(3-hydroxy-3-methylglutaryl)-beta-glucopyranoside
Formula C29H33O16
Mw 637.17686001
CAS RN 1158964-28-3
C_ID C00048476 ,
InChIKey MAEFXUVROBGICT-ROALKYAENA-N
InChICode InChI=1S/C29H33O16/c1-29(39,9-21(32)33)10-22(34)42-11-20-24(36)25(37)26(38)28(45-20)44-19-8-14-15(31)6-13(30)7-16(14)43-27(19)12-4-17(40-2)23(35)18(5-12)41-3/h4-8,20,24-26,28,30-31,35-39H,9-11H2,1-3H3,(H,32,33)/t20-,24-,25+,26-,28-,29+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC1=C([O]=c2c(=C1)c(cc(c2)O)O)c1cc(c(c(c1)OC)O)OC)COC(=O)C[C@](CC(=O)O)(O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens textori Ref.
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OrganismImpatiens textori
ReferenceTatsuzawa,Phytochem.,70,(2009),672