input word = C00026213

Metabolite InformationStructural formula
Name Ligularizine
12-Epipetasitenine acetate
O-Acetyl-12-epifukinotoxin
Formula C21H29NO8
Mw 423.18931691
CAS RN 90364-92-4
C_ID C00026213 ,
InChIKey RNNVXCSFOWGBQP-KTAHTJDJNA-N
InChICode InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20+,21-/m1/s1
SMILES N1(CC=C2C(=O)[C@@H](CC1)OC(=O)[C@]1(C[C@H]([C@@](C(=O)OC2)(OC(=O)C)C)C)O[C@@H]1C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia dentata Hara Ref.
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