input word = C00010964

Metabolite InformationStructural formula
Name [1S-[1alpha(E),3(E),5beta,6alpha]]-5-(acetyloxy)-6-(1-methylethyl)-3-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-4-oxo-2-cyclohexen-1-yl ester
Formula C22H30O7
Mw 406.19915331
CAS RN 128988-33-0
C_ID C00010964 ,
InChIKey VQVOLXGHPXSBKK-YWDXOTAONA-N
InChICode InChI=1S/C22H30O7/c1-8-13(5)21(25)27-11-16-10-17(29-22(26)14(6)9-2)18(12(3)4)20(19(16)24)28-15(7)23/h8-10,12,17-18,20H,11H2,1-7H3/b13-8+,14-9+/t17-,18-,20+/m0/s1
SMILES C/C=C(C)C(=O)OCC1=C[C@H](OC(=O)/C(C)=C/C)[C@H](C(C)C)[C@@H](OC(C)=O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus bullatus Ref.
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