input word = C00036560

Metabolite InformationStructural formula
Name 3'-O-beta-Glucopyranosyl plumbagic acid
Formula C17H22O10
Mw 386.12129692
CAS RN 532410-37-0
C_ID C00036560 ,
InChIKey UCLRISWUPMTSAO-XTOPVWIRNA-N
InChICode InChI=1S/C17H22O10/c1-7(5-11(19)20)12(21)8-3-2-4-9(13(8)22)26-17-16(25)15(24)14(23)10(6-18)27-17/h2-4,7,10,14-18,22-25H,5-6H2,1H3,(H,19,20)/t7-,10+,14+,15-,16+,17+/m0/s1
SMILES c1c(c(c(cc1)C(=O)[C@H](CC(=O)O)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlumbaginaceaePlumbago zeylanica Ref.
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