input word = C00010962

Metabolite InformationStructural formula
Name [4S-(4alpha,5alpha,6beta)]-4,6-dihydroxy-2-(hydroxymethyl)-5-(1-methylethyl)-2-Cyclohexen-1-one
Formula C10H16O4
Mw 200.104859
CAS RN 128988-32-9
C_ID C00010962 ,
InChIKey HPZJQYJGKPNSIZ-AFAAIUEZNA-N
InChICode InChI=1S/C10H16O4/c1-5(2)8-7(12)3-6(4-11)9(13)10(8)14/h3,5,7-8,10-12,14H,4H2,1-2H3/t7-,8-,10+/m0/s1
SMILES C1=C(C(=O)[C@@H]([C@H]([C@H]1O)C(C)C)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus bullatus Ref.
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