input word = C00006353

Metabolite InformationStructural formula
Name Isoswertisin 4'-O-rhamnoside
Formula C28H32O14
Mw 592.17920573
CAS RN 83668-89-7
C_ID C00006353 ,
InChIKey UBQFTUKECDKZPS-DTVOWUGDNA-N
InChICode InChI=1S/C28H32O14/c1-10-20(32)22(34)25(37)28(39-10)40-12-5-3-11(4-6-12)15-7-13(30)18-14(31)8-16(38-2)19(26(18)41-15)27-24(36)23(35)21(33)17(9-29)42-27/h3-8,10,17,20-25,27-29,31-37H,9H2,1-2H3/t10-,17+,20-,21+,22-,23-,24+,25+,27-,28-/m0/s1
SMILES COc1cc(O)c2c(=O)cc(-c3ccc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc3)oc2c1[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeAvena sativa Ref.
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