input word = C00059363

Metabolite InformationStructural formula
Name (betaS)-beta,4-Dihydroxy-3,5-dimethoxy-benzenepropanoic acid, methyl ester
Formula C12H16O6
Mw 256.09468824
CAS RN 1187551-31-0
C_ID C00059363
InChIKey NWYPSJATNKDRKG-QMMMGPOBSA-N
InChICode InChI=1S/C12H16O6/c1-16-9-4-7(5-10(17-2)12(9)15)8(13)6-11(14)18-3/h4-5,8,13,15H,6H2,1-3H3/t8-/m0/s1
SMILES COC(=O)CC(O)c1cc(OC)c(O)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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OrganismRuta graveolens
Referencehttps://doi.org/10.1055/s-0028-1088397