input word = C00021742

Metabolite InformationStructural formula
Name 12-Deoxotrixikingolide 2-methylbutanoate
Formula C20H28O4
Mw 332.19875938
CAS RN 69993-49-3
C_ID C00021742 ,
InChIKey AXUADRDJRAAQAE-TWOYZBDCNA-N
InChICode InChI=1S/C20H28O4/c1-4-11(2)17(21)24-18-13-5-6-16-19(3)10-23-15-7-12(19)8-20(13,16)14(15)9-22-18/h9,11-13,15-16,18H,4-8,10H2,1-3H3/t11-,12+,13+,15-,16-,18-,19+,20-/m0/s1
SMILES CCC(C)C(=O)O[C@@H]1OC=C2[C@@H]3C[C@@H]4C[C@]25[C@@H]1CC[C@H]5[C@]4(C)CO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrixis inula Ref.
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