input word = C00021744

Metabolite InformationStructural formula
Name Trixikingolide
2'-methylbutyrate
Formula C20H26O5
Mw 346.17802394
CAS RN 69993-42-6
C_ID C00021744 ,
InChIKey NQPYPEJSUJSTMT-FWJLMANUNA-N
InChICode InChI=1S/C20H26O5/c1-4-10(2)16(21)25-17-12-5-6-15-19(3)11-7-14(24-18(19)22)13(9-23-17)20(12,15)8-11/h9-12,14-15,17H,4-8H2,1-3H3/t10-,11+,12+,14-,15+,17-,19+,20-/m0/s1
SMILES C1C[C@H]2[C@@]34[C@H]1[C@]1([C@@H](C3)C[C@@H](C4=CO[C@H]2OC(=O)[C@H](CC)C)OC1=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrixis wrightii Ref.
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OrganismTrixis wrightii
ReferenceBohlmann,Chem. Ber.,112,(1979),435