input word = C00036561

Metabolite InformationStructural formula
Name 3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Formula C18H24O10
Mw 400.13694699
CAS RN 532410-38-1
C_ID C00036561 ,
InChIKey ZVFWDSLLUZMSDS-JEVGBIDDNA-N
InChICode InChI=1S/C18H24O10/c1-8(6-12(20)26-2)13(21)9-4-3-5-10(14(9)22)27-18-17(25)16(24)15(23)11(7-19)28-18/h3-5,8,11,15-19,22-25H,6-7H2,1-2H3/t8-,11+,15+,16-,17+,18+/m0/s1
SMILES c1c(c(c(cc1)C(=O)[C@H](CC(=O)OC)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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