input word = C00022630

Metabolite InformationStructural formula
Name 18-Acetoxygrindelic acid
Formula C22H34O5
Mw 378.2406242
CAS RN 81916-44-1
C_ID C00022630 ,
InChIKey DQSQTZUSTDQHIN-VVCWUNLCNA-N
InChICode InChI=1S/C22H34O5/c1-15-7-8-17-19(3,14-26-16(2)23)9-6-10-21(17,5)22(15)12-11-20(4,27-22)13-18(24)25/h7,17H,6,8-14H2,1-5H3,(H,24,25)/t17-,19-,20-,21-,22+/m0/s1
SMILES CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@]21CC[C@@](C)(CC(=O)O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia camporum Ref.
PlantaeAsteraceaeGrindelia paludosa Ref.
PlantaeAsteraceaeGrindelia stricta Ref.
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OrganismGrindelia paludosa
ReferenceBohlmann,Phytochem.,21,(1982),167