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 O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c([C@@H]3OC[C@H](O)[C@H](O)C3O[C@@H]3OC[C@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeCerastium arvense Ref.
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