input word = C00026212

Metabolite InformationStructural formula
Name Ligularinine
12-Epiplatyphylline
Formula C18H27NO5
Mw 337.18892298
CAS RN 90364-90-2
C_ID C00026212 ,
InChIKey BTHCJHQOYFUIMG-CHBZJVCFNA-N
InChICode InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18+/m1/s1
SMILES C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia dentata Hara Ref.
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