input word = C00023204

Metabolite InformationStructural formula
Name 16-Hydroxybacchasalicylic acid-15-O-acetate
Formula C22H34O5
Mw 378.2406242
CAS RN 107390-02-3
C_ID C00023204 ,
InChIKey MCVZTTJDKABTGZ-YZPQRFJBNA-N
InChICode InChI=1S/C22H34O5/c1-15-6-5-7-19-21(15,3)12-9-18(20(25)26)22(19,4)11-8-17(14-23)10-13-27-16(2)24/h6,10,18-19,23H,5,7-9,11-14H2,1-4H3,(H,25,26)/b17-10-/t18-,19-,21-,22+/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](CC2)C(=O)O)(CC/C(=C/COC(=O)C)/CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis salicifolia Ref.
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