input word = C00012063

Metabolite InformationStructural formula
Name [1R-[1R*,4R*,6R*,7R*(Z),8R*,11R*]]-8-(1-Hydroxy-1-methylethyl)-4,11-dimethyl-5,12-dioxatricyclo[9.1.0.04,6]dodec-7-yl ester 2-methyl-2-butenoic acid
Formula C20H32O5
Mw 352.22497413
CAS RN 114176-07-7
C_ID C00012063 ,
InChIKey RWOFDISHDBCLMX-HRKCFORXNA-N
InChICode InChI=1S/C20H32O5/c1-7-12(2)17(21)23-15-13(18(3,4)22)8-10-19(5)14(24-19)9-11-20(6)16(15)25-20/h7,13-16,22H,8-11H2,1-6H3/b12-7-/t13-,14-,15-,16-,19-,20-/m1/s1
SMILES [C@@]12(O[C@@H]1CC[C@]1(O[C@@H]1[C@@H]([C@@H](CC2)C(C)(C)O)OC(=O)/C(=C\C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNanothamnus sericeous Ref.
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