input word = C00042697

Metabolite InformationStructural formula
Name Ligudentatin A
(+)-Ligudentatin A
Formula C15H18O3
Mw 246.12559444
CAS RN 214703-36-3
C_ID C00042697 ,
InChIKey QTXBUQHQOMWGJN-UEQNJFAPNA-N
InChICode InChI=1S/C15H18O3/c1-9(2)10-4-5-11-6-12(16)8-14(13(11)7-10)15(17)18-3/h6,8,10,16H,1,4-5,7H2,2-3H3/t10-/m1/s1
SMILES c12c(cc(cc1CC[C@H](C2)C(=C)C)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia dentata Ref.
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