input word = C00022247

Metabolite InformationStructural formula
Name Cordobic acid 18-acetate
Formula C22H36O5
Mw 380.25627426
CAS RN 103994-25-8
C_ID C00022247 ,
InChIKey KIYMDNJCFGZGTR-KLIDJAAFNA-N
InChICode InChI=1S/C22H36O5/c1-14(11-20(25)26)7-8-17-15(2)18(24)12-19-21(4,13-27-16(3)23)9-6-10-22(17,19)5/h14,17-19,24H,2,6-13H2,1,3-5H3,(H,25,26)/t14-,17+,18-,19+,21+,22-/m1/s1
SMILES C=C1[C@H](O)CC2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia discoidea Ref.
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OrganismGrindelia discoidea
ReferenceTimmermann,Phytochem.,25,(1986),1389