input word = C00011418

Metabolite InformationStructural formula
Name 1-(3,3-Dimethyloxiranyl)-7-hydroxy-3,7-dimethyl-3,5,8-nonatrienyl ester 2-methyl-2-butenoic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 59806-18-7
C_ID C00011418 ,
InChIKey AXUAMOWYJIVLCI-UHFFFAOYNA-N
InChICode InChI=1S/C20H30O4/c1-8-15(4)18(21)23-16(17-19(5,6)24-17)13-14(3)11-10-12-20(7,22)9-2/h8-12,16-17,22H,2,13H2,1,3-7H3/b12-10+,14-11-,15-8+/t16-,17+,20-/m1/s1
SMILES [C@@H](OC(=O)/C(=C/C)/C)(C/C(=C\C=C\[C@](C)(O)C=C)/C)[C@H]1C(O1)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia diffusa Ref.
PlantaeAsteraceaeBrickellia veronicifolia Ref.
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