input word = C00022441

Metabolite InformationStructural formula
Name Batudioic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 85994-68-9
C_ID C00022441 ,
InChIKey UVDGMDXWVQHKDO-TUFZSORQNA-N
InChICode InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h7,12,15-16H,5-6,8-11H2,1-4H3,(H,21,22)(H,23,24)/b13-12-/t15-,16-,19+,20+/m0/s1
SMILES C1C[C@@]([C@@H]2[C@](C1)([C@H](C(=CC2)C)CC/C(=C\C(=O)O)/C)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis tucumanensis Ref.
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