input word = C00010733

Metabolite InformationStructural formula
Name beta-Allamcidin glucoside
Formula C21H28O12
Mw 472.15807636
CAS RN 93376-12-6
C_ID C00010733 ,
InChIKey GBCAZNAWDUIISE-GNFAFKLKNA-N
InChICode InChI=1S/C21H28O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,8-9,11-16,19-20,22-26H,6-7H2,1-2H3/t8-,9+,11+,12-,13-,14-,15+,16+,19+,20-,21-/m1/s1
SMILES COC(=O)[C@H]1CO[C@@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@H]2[C@@H]1C=C[C@@]21C=C(C(C)O)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAllamanda neriifolia Ref.
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