input word = C00046287

Metabolite InformationStructural formula
Name Patientoside A
(-)-Patientoside A
Formula C19H21ClO8
Mw 412.09249536
CAS RN 349636-06-2
C_ID C00046287 ,
InChIKey HEPVWAFOECZRTB-HOWZCMJZNA-N
InChICode InChI=1S/C19H21ClO8/c1-7-12(8(2)22)16(24)13-9(14(7)20)4-3-5-10(13)27-19-18(26)17(25)15(23)11(6-21)28-19/h3-5,11,15,17-19,21,23-26H,6H2,1-2H3/t11-,15-,17+,18-,19-/m1/s1
SMILES c1ccc2c(c1O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O)c(c(c(c2Cl)C)C(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRumex patientia Ref.
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