input word = C00057077

Metabolite InformationStructural formula
Name Neotussilagine
Formula C10H17NO3
Mw 199.12084342
CAS RN 147730-89-0
C_ID C00057077
InChIKey LADVYSUMGRTFSZ-OYNCUSHFSA-N
InChICode InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3/t7-,8-,10+/m0/s1
SMILES COC(=O)[C@@H]1[C@@H]2CCCN2C[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTussilago farfara Ref.
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OrganismTussilago farfara
ReferenceRoder, E. et al., Planta Med., 1981, 43, 99 (ir, pmr, cmr, ms, struct)