input word = C00037555

Metabolite InformationStructural formula
Name Niveusin A 2-methylbutyrate
Formula C20H28O8
Mw 396.17841787
CAS RN 135029-76-4
C_ID C00037555 ,
InChIKey PBHKMDBIOFKKFO-KPQMKEFCNA-N
InChICode InChI=1S/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h6,10,13-16,21-22,25H,3,5,7-9H2,1-2,4H3/b12-6+/t10-,13-,14+,15-,16-,19+,20+/m0/s1
SMILES C1[C@@H]([C@]2(C[C@H]([C@@H]3[C@H](/C=C(/[C@@]1(O2)O)\CO)OC(=O)C3=C)OC(=O)[C@H](CC)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeViguiera quinqueremis Blake Ref.
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