input word = C00023203

Metabolite InformationStructural formula
Name Bacchasalicylic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 107390-06-7
C_ID C00023203 ,
InChIKey WFWZEVUAJFNRMA-HMZLNMDLNA-N
InChICode InChI=1S/C20H32O3/c1-14(10-13-21)8-11-20(4)16(18(22)23)9-12-19(3)15(2)6-5-7-17(19)20/h6,10,16-17,21H,5,7-9,11-13H2,1-4H3,(H,22,23)/b14-10+/t16-,17-,19-,20+/m0/s1
SMILES CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/CO)[C@H](C(=O)O)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis salicifolia Ref.
PlantaeJungermanniaceaeJungermannia infusca Ref.
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