input word = C00023543

Metabolite InformationStructural formula
Name 2-Deoxychamaedroxide
Formula C20H22O6
Mw 358.14163844
CAS RN 113332-19-7
C_ID C00023543 ,
InChIKey WKSOGGZMMAOJJQ-IBEIMDMINA-N
InChICode InChI=1S/C20H22O6/c1-11-7-15-19-10-24-17(22)20(19,26-15)5-2-3-14(19)18(11)8-13(25-16(18)21)12-4-6-23-9-12/h4,6,9,11,13-15H,2-3,5,7-8,10H2,1H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1
SMILES C1C[C@@]23C(=O)OC[C@]42[C@H](C1)[C@]1([C@@H](C[C@H]4O3)C)C[C@H](OC1=O)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium divaricatum Ref.
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