input word = C00057509

Metabolite InformationStructural formula
Name Petasinine
Formula C13H21NO3
Mw 239.15214354
CAS RN 70474-33-8
C_ID C00057509
InChIKey HQARVRYBUBTANR-JTPMTOLCSA-N
InChICode InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1
SMILES C/C=C(/C)C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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