input word = C00033530

Metabolite InformationStructural formula
Name 15-Deoxylactucin-8-sulfate
Formula C15H16O7S
Mw 340.0616736
CAS RN 303130-77-0
C_ID C00033530 ,
InChIKey KAPRLOJNVRVRAT-CCPZOLEANA-N
InChICode InChI=1S/C15H16O7S/c1-6-4-9(16)11-7(2)5-10(22-23(18,19)20)13-8(3)15(17)21-14(13)12(6)11/h4,10,12-14H,3,5H2,1-2H3,(H,18,19,20)/t10-,12-,13+,14+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](OS(=O)(=O)O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa L. Ref.
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