input word = C00022624

Metabolite InformationStructural formula
Name 6alpha-Formyloxygrindelic acid
Formula C21H32O5
Mw 364.22497413
CAS RN 81916-39-4
C_ID C00022624 ,
InChIKey BAHVRTCQDFBKAW-ZJELLDFXNA-N
InChICode InChI=1S/C21H32O5/c1-14-11-15(25-13-22)17-18(2,3)7-6-8-20(17,5)21(14)10-9-19(4,26-21)12-16(23)24/h11,13,15,17H,6-10,12H2,1-5H3,(H,23,24)/t15-,17+,19+,20+,21-/m1/s1
SMILES CC1=C[C@H](OC=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia camporum Ref.
PlantaeAsteraceaeGrindelia stricta Ref.
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OrganismGrindelia camporum
ReferenceBohlmann,Phytochem.,21,(1982),167