input word = C00006277

Metabolite InformationStructural formula
Name Isoswertisin 5-O-glucoside
Formula C28H32O15
Mw 608.17412036
CAS RN 73051-76-0
C_ID C00006277 ,
InChIKey BDXOJJDLYMCIFK-TUWQGTSDNA-N
InChICode InChI=1S/C28H32O15/c1-39-14-7-15(42-28-25(38)23(36)21(34)17(9-30)43-28)18-12(32)6-13(10-2-4-11(31)5-3-10)40-26(18)19(14)27-24(37)22(35)20(33)16(8-29)41-27/h2-7,16-17,20-25,27-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1
SMILES COc1cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Enicostemma hyssopifolium Ref.
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