input word = C00012507

Metabolite InformationStructural formula
Name (R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol acetate
Cupalaurenol acetate
Formula C17H21BrO2
Mw 336.07249281
CAS RN 103456-69-5
C_ID C00012507 ,
InChIKey HRULCLWSZQHYFY-AGDOHHJYNA-N
InChICode InChI=1S/C17H21BrO2/c1-11-9-14(18)13(10-15(11)20-12(2)19)17(5)8-6-7-16(17,3)4/h6-7,9-10H,8H2,1-5H3/t17-/m0/s1
SMILES CC(=O)Oc1cc([C@]2(C)CC=CC2(C)C)c(Br)cc1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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