input word = C00001345

Metabolite InformationStructural formula
Name (-)-Betonicine
4-Hydroxyproline betaine
Formula C7H13NO3
Mw 159.08954329
CAS RN 515-25-3
C_ID C00001345 ,
InChIKey MUNWAHDYFVYIKH-MZQZIECVNA-N
InChICode InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
SMILES [C@@H]1(C[N+]([C@@H](C1)C(=O)[O-])(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea millefolium Ref.
PlantaeCombretaceaeCombretum micranthum Ref.
PlantaeLabiataeMarrubium vulgare Ref.
PlantaeLabiataeStachys sylvatica Ref.
PlantaeLamiaceaeBetonica officinalis Ref.
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OrganismAchillea millefolium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter10