input word = C00033598

Metabolite InformationStructural formula
Name 8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate
Formula C19H22O9S
Mw 426.09845303
CAS RN 935848-90-1
C_ID C00033598 ,
InChIKey SRHOHYYJDPEABB-ROSYFUQCNA-N
InChICode InChI=1S/C19H22O9S/c1-9-4-5-13-11(3)19(22)28-17(13)16-12(6-14(20)15(9)16)8-26-18(21)10(2)7-27-29(23,24)25/h6,10,13,16-17H,3-5,7-8H2,1-2H3,(H,23,24,25)/t10-,13-,16-,17-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)[C@@H](C)COS(=O)(=O)O)=CC(=O)C3=C(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaunaea arborescens Ref.
PlantaeAsteraceaeReichardia gaditana (Willk.) Coutinho Ref.
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OrganismReichardia gaditana (Willk.) Coutinho
ReferenceZidorn,Phytochem.,69,(2008),2270