input word = C00037342

Metabolite InformationStructural formula
Name Isoretrohoustine
Formula C14H23NO4
Mw 269.16270823
CAS RN 366452-83-7
C_ID C00037342 ,
InChIKey RAOAKLAJPBMMLW-WZPAWTPMNA-N
InChICode InChI=1S/C14H23NO4/c1-9(2)14(3,18)13(17)19-11-5-7-15-6-4-10(8-16)12(11)15/h4,9,11-12,16,18H,5-8H2,1-3H3/t11-,12-,14+/m1/s1
SMILES [C@@H]1([C@@H]2N(CC1)CC=C2CO)OC(=O)[C@](C)(C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum houstonianum (Mill) Ref.
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