input word = C00033534

Metabolite InformationStructural formula
Name 15-p-Hydroxyphenylacetyl-lactucin-8-sulfate
Formula C23H22O10S
Mw 490.09336765
CAS RN 303130-78-1
C_ID C00033534 ,
InChIKey HAAFMPVLNFTPMR-HASYLGPENA-N
InChICode InChI=1S/C23H22O10S/c1-11-7-17(33-34(28,29)30)20-12(2)23(27)32-22(20)21-14(9-16(25)19(11)21)10-31-18(26)8-13-3-5-15(24)6-4-13/h3-6,9,17,20-22,24H,2,7-8,10H2,1H3,(H,28,29,30)/t17-,20+,21-,22-/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=C2COC(=O)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa L. Ref.
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OrganismLactuca sativa L.
ReferenceZidorn,Phytochem.,69,(2008),2270