input word = C00014068

Metabolite InformationStructural formula
Name Scoparin 6''-O-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 605652-87-7
C_ID C00014068 ,
InChIKey HLDFVQBORWFGAX-TUWQGTSDNA-N
InChICode InChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)30)14-6-13(33)18-11(31)5-12(32)19(26(18)42-14)27-24(38)22(36)21(35)17(43-27)8-41-28-25(39)23(37)20(34)16(7-29)44-28/h2-6,16-17,20-25,27-32,34-39H,7-8H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTurneraceaeTurnera diffusa Ref.
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