input word = C00022421

Metabolite InformationStructural formula
Name 7alpha-Acetoxycommunic acid
Formula C22H32O4
Mw 360.23005951
CAS RN 79421-65-1
C_ID C00022421 ,
InChIKey ZJXFDQVVYBKPMA-MAEXPXBHNA-N
InChICode InChI=1S/C22H32O4/c1-7-14(2)9-10-17-15(3)18(26-16(4)23)13-19-21(17,5)11-8-12-22(19,6)20(24)25/h7,9,17-19H,1,3,8,10-13H2,2,4-6H3,(H,24,25)/b14-9+/t17-,18+,19+,21+,22-/m0/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@H](C(=C)[C@@H](C2)OC(=O)C)C/C=C(/C=C)\C)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChromolaena collina Ref.
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