input word = C00012064

Metabolite InformationStructural formula
Name [1R-[1R*,4R*,6S*(Z),9R*,10R*(Z),11R*]]-[9-(1-Hydroxy-1-methylethyl)-1-methyl-10-[(2-methyl-1-oxo-2-butenyl)oxy]-5,12-dioxatricyclo[9.1.0.04,6]dodec-6-yl]methyl ester 2-methyl-2-butenoic acid
Formula C25H38O7
Mw 450.26175357
CAS RN 114176-09-9
C_ID C00012064 ,
InChIKey TUVAKELLEXKYKM-GLGUAMFWNA-N
InChICode InChI=1S/C25H38O7/c1-8-15(3)21(26)29-14-25-13-10-17(23(5,6)28)19(30-22(27)16(4)9-2)20-24(7,32-20)12-11-18(25)31-25/h8-9,17-20,28H,10-14H2,1-7H3/b15-8-,16-9-/t17-,18-,19-,20-,24-,25+/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)COC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNanothamnus sericeous Ref.
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OrganismNanothamnus sericeous
ReferenceBhat,J. Chem. Soc. Perkin Trans. I,(1988),657