input word = C00006272

Metabolite InformationStructural formula
Name Isoscoparin 2''-O-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 97605-25-9
C_ID C00006272 ,
InChIKey AQQFWSYLUDMDBP-LRIMOGAENA-N
InChICode InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-15(41-13)6-12(33)19(22(18)36)26-27(24(38)21(35)16(7-29)42-26)44-28-25(39)23(37)20(34)17(8-30)43-28/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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene pratensis Ref.
PlantaePoaceaeOryza sativa Ref.
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