input word = C00006306

Metabolite InformationStructural formula
Name Isomollupentin 7-O-glucoside-2''-O-arabinoside
Formula C31H36O18
Mw 696.19016435
CAS RN 89648-71-5
C_ID C00006306 ,
InChIKey KRNULZZOBAWHRO-MNZNXJMVNA-N
InChICode InChI=1S/C31H36O18/c32-7-18-23(39)25(41)27(43)31(48-18)47-17-6-16-19(12(34)5-15(46-16)10-1-3-11(33)4-2-10)24(40)20(17)28-29(22(38)14(36)8-44-28)49-30-26(42)21(37)13(35)9-45-30/h1-6,13-14,18,21-23,25-33,35-43H,7-9H2/t13-,14+,18+,21-,22-,23+,25-,26-,27+,28-,29-,30-,31+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)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
PlantaeCaryophyllaceaeCerastium arvense Ref.
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