input word = C00010842

Metabolite InformationStructural formula
Name Calaminthone
Formula C11H12O5
Mw 224.06847349
CAS RN 113412-11-6
C_ID C00010842 ,
InChIKey ASYWVBBBOMJYAC-HVJHTOOYNA-N
InChICode InChI=1S/C11H12O5/c1-5-3-8-9(7(13)4-15-8)10(14)11(5)16-6(2)12/h4-5,11,13H,3H2,1-2H3/t5-,11-/m0/s1
SMILES [C@H]1(C(=O)c2c(C[C@@H]1C)occ2O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeCalamintha ashei Ref.
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