input word = C00002796

Metabolite InformationStructural formula
Name Aurantio-obtusin beta-D-glucoside
Formula C23H24O12
Mw 492.12677623
CAS RN 129025-96-3
C_ID C00002796 ,
InChIKey LQYQYAJWKXDTHR-POOLJJKDNA-N
InChICode InChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16+,19-,20+,23+/m0/s1
SMILES c1(c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1OC)O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia obtusifolia Ref.
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