input word = C00006273

Metabolite InformationStructural formula
Name Isoscoparin 7-O-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 50307-26-1
C_ID C00006273 ,
InChIKey OIGSSDJKYJBKMU-CCRNMEBXNA-N
InChICode InChI=1S/C28H32O16/c1-40-13-4-9(2-3-10(13)31)12-5-11(32)18-14(41-12)6-15(43-28-26(39)24(37)21(34)17(8-30)44-28)19(22(18)35)27-25(38)23(36)20(33)16(7-29)42-27/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20+,21+,23-,24-,25+,26+,27-,28+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)OC)O)[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene pratensis Ref.
PlantaeGentianaceaeGentiana pyrenaica Ref.
PlantaePoaceaeHordeum vulgare Ref.
zoom in