input word = C00014069

Metabolite InformationStructural formula
Name Chrysoeriol 7-O-8-C-bisglucoside
Knautoside
Episcoparin 7-O-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 41758-48-9
C_ID C00014069 ,
InChIKey GVJBNBZWSMBQGX-TUWQGTSDNA-N
InChICode InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-12(33)6-15(43-28-25(39)23(37)21(35)17(8-30)44-28)19(26(18)41-13)27-24(38)22(36)20(34)16(7-29)42-27/h2-6,16-17,20-25,27-31,33-39H,7-8H2,1H3/t16-,17+,20+,21+,22-,23-,24+,25-,27-,28+/m0/s1
SMILES c1(oc2c(c(=O)c1)c(cc(c2[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)c1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeKnautia montana Ref.
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