input word = C00005542

Metabolite InformationStructural formula
Name Isorhamnetin 3-lactoside
Cassiglucin
Formula C28H32O17
Mw 640.1639496
CAS RN 73815-19-7
C_ID C00005542 ,
InChIKey YFTRUHDULQIREQ-IAGROIBJNA-N
InChICode InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)32)24-26(19(35)17-12(33)5-10(31)6-14(17)41-24)45-28-23(39)21(37)25(16(8-30)43-28)44-27-22(38)20(36)18(34)15(7-29)42-27/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3/t15-,16-,18+,20-,21-,22+,23-,25-,27+,28+/m1/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@H](O)C(O)C3O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia multijuga Ref.
PlantaeFabaceaeSenna multijuga Ref.
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