input word = C00022790

Metabolite InformationStructural formula
Name 16-Hydroxybacchasalicylic acid
Formula C20H32O4
Mw 336.23005951
CAS RN 120838-11-1
C_ID C00022790 ,
InChIKey CARVBZGFRUGPHE-LUHGTYHBNA-N
InChICode InChI=1S/C20H32O4/c1-14-5-4-6-17-19(14,2)11-8-16(18(23)24)20(17,3)10-7-15(13-22)9-12-21/h5,9,16-17,21-22H,4,6-8,10-13H2,1-3H3,(H,23,24)/b15-9-/t16-,17-,19-,20+/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](CC2)C(=O)O)(CC/C(=C/CO)/CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis boliviensis Ref.
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