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@H]12C(=C(C[C@@H]([C@@H]3[C@@H]1OC(=O)C3=C)OS(=O)(=O)O)C)C(=O)C=C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa L. Ref.
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