input word = C00010965

Metabolite InformationStructural formula
Name [1S-[1alpha(E),5beta,6beta]]-5-hydroxy-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester
Formula C15H22O5
Mw 282.14672381
CAS RN 115967-42-5
C_ID C00010965 ,
InChIKey DQAVAZNOXSQZNF-YMIFWZMBNA-N
InChICode InChI=1S/C15H22O5/c1-5-9(4)15(19)20-14-12(8(2)3)11(17)6-10(7-16)13(14)18/h5-6,8,11-12,14,16-17H,7H2,1-4H3/b9-5+/t11-,12-,14+/m1/s1
SMILES C1=C(C(=O)[C@H]([C@@H]([C@@H]1O)C(C)C)OC(=O)/C(=C/C)/C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus bullatus Ref.
PlantaeAsteraceaeSphaeranthus suaveolens Ref.
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