input word = C00022279

Metabolite InformationStructural formula
Name 17-Carboxygrindelic acid
Formula C22H34O5
Mw 378.2406242
CAS RN 114420-29-0
C_ID C00022279 ,
InChIKey SKINSGNGSUPVKT-CPALQWBVNA-N
InChICode InChI=1S/C22H34O5/c1-19(2)10-7-11-21(4)16(19)9-8-15(18(24)26-6)22(21)13-12-20(3,27-22)14-17(23)25-5/h8,16H,7,9-14H2,1-6H3/t16-,20-,21-,22+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@@]1(C(=CC2)C(=O)OC)O[C@](CC1)(C)CC(=O)OC)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia camporum Ref.
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