input word = C00005613

Metabolite InformationStructural formula
Name Ombuin 3-galactoside
Formula C23H24O12
Mw 492.12677623
CAS RN 69168-13-4
C_ID C00005613 ,
InChIKey AJRPVOZGWVGWPP-NNFVLGQLNA-N
InChICode InChI=1S/C23H24O12/c1-31-10-6-12(26)16-14(7-10)33-21(9-3-4-13(32-2)11(25)5-9)22(18(16)28)35-23-20(30)19(29)17(27)15(8-24)34-23/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15-,17+,19-,20-,23+/m1/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)C(O)C3O)c(-c3ccc(OC)c(O)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAnthyllis onobrychioides Ref.
PlantaeFabaceaeSenna septemtrionalis Ref.
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