input word = C00002102

Metabolite InformationStructural formula
Name Nemorensine
Formula C18H27NO5
Mw 337.18892298
CAS RN 50906-96-2
C_ID C00002102 ,
InChIKey DNEINKNDPRUHLP-IIOPIWHJNA-N
InChICode InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3/t11-,12+,13+,15+,17+,18+/m0/s1
SMILES [C@@H]12N3CC[C@@H]1COC(=O)[C@@]1(O[C@@](C[C@@H]1C)(C)CC(=O)O[C@@H]2CC3)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio nemorensis Ref.
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OrganismSenecio nemorensis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter26