input word = C00006334

Metabolite InformationStructural formula
Name Isoscoparin 2''-(6-(E)-p-coumaroylglucoside)
Formula C37H38O18
Mw 770.20581441
CAS RN 99445-33-7
C_ID C00006334 ,
InChIKey PLLYYRRPIIWFON-JMVQXDAFNA-N
InChICode InChI=1S/C37H38O18/c1-50-22-10-16(5-8-18(22)40)21-11-19(41)27-23(52-21)12-20(42)28(31(27)46)35-36(33(48)29(44)24(13-38)53-35)55-37-34(49)32(47)30(45)25(54-37)14-51-26(43)9-4-15-2-6-17(39)7-3-15/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-4+/t24-,25+,29+,30+,32+,33-,34+,35-,36+,37-/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)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis sativus Ref.
PlantaePoaceaeOryza sativa Ref.
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