input word = C00034017

Metabolite InformationStructural formula
Name Lactucin-15-oxalate
Formula C17H16O8
Mw 348.08451749
CAS RN 303130-76-9
C_ID C00034017 ,
InChIKey LMOXWYJMYLUOMS-DUBURPMKNA-N
InChICode InChI=1S/C17H16O8/c1-6-3-9(18)12-7(2)16(22)25-14(12)13-8(4-10(19)11(6)13)5-24-17(23)15(20)21/h4,9,12-14,18H,2-3,5H2,1H3,(H,20,21)/t9-,12+,13-,14-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)C(=O)O)=CC(=O)C3=C(C)C[C@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa L. Ref.
PlantaeAsteraceaeLactuca serriola L. Ref.
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OrganismLactuca sativa L.
ReferenceZidorn,Phytochem.,69,(2008),2270