input word = C00042698

Metabolite InformationStructural formula
Name Ligudentatin B
(+)-Ligudentatin B
Formula C16H20O3
Mw 260.1412445
CAS RN 214703-38-5
C_ID C00042698 ,
InChIKey RZRWYTLNQXCLOT-LDGXTIHJNA-N
InChICode InChI=1S/C16H20O3/c1-4-19-16(18)15-9-13(17)7-12-6-5-11(10(2)3)8-14(12)15/h7,9,11,17H,2,4-6,8H2,1,3H3/t11-/m1/s1
SMILES c12c(cc(cc1CC[C@H](C2)C(=C)C)O)C(=O)OCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia dentata Ref.
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OrganismLigularia dentata
ReferenceGao,Phytochem.,49,(1998),167