input word = C00010966

Metabolite InformationStructural formula
Name [1R-(1alpha,2beta,3alpha,4alpha)]-6-(hydroxymethyl)-3-(1-methylethyl)-5-Cyclohexene-1,2,4-triol
Formula C10H18O4
Mw 202.12050906
CAS RN 128988-35-2
C_ID C00010966 ,
InChIKey WJFMGTPPWYRFKM-XBBLDCRONA-N
InChICode InChI=1S/C10H18O4/c1-5(2)8-7(12)3-6(4-11)9(13)10(8)14/h3,5,7-14H,4H2,1-2H3/t7-,8-,9+,10+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@H](C=C1CO)O)C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus bullatus Ref.
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OrganismSphaeranthus bullatus
ReferenceJakupovic,Phytochem.,29,(1990),1213