input word = C00035147

Metabolite InformationStructural formula
Name Picroroside A
(-)-Picroroside A
Formula C24H30O12
Mw 510.17372642
CAS RN 920746-08-3
C_ID C00035147 ,
InChIKey QIMNZOQHKVLDAD-ZFJMZMFONA-N
InChICode InChI=1S/C24H30O12/c25-14(7-6-11-4-2-1-3-5-11)32-9-13-18(27)19(28)20(29)23(34-13)36-22-16-12-8-15(35-22)33-10-24(16,31)21(30)17(12)26/h1-7,12-13,15-23,26-31H,8-10H2/b7-6+/t12-,13-,15-,16-,17+,18-,19+,20-,21-,22+,23+,24-/m1/s1
SMILES O1[C@H]2OC[C@]3([C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/c1ccccc1)[C@H]([C@@H]([C@H]3O)O)C2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
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