input word = C00033835

Metabolite InformationStructural formula
Name Estafiatin 8-O-angelate
Formula C20H24O5
Mw 344.16237388
CAS RN 85758-40-3
C_ID C00033835 ,
InChIKey HIIXAXNQHUSHMG-OARUWZBNNA-N
InChICode InChI=1S/C20H24O5/c1-6-9(2)18(21)23-13-7-10(3)12-8-14-20(5,25-14)16(12)17-15(13)11(4)19(22)24-17/h6,12-17H,3-4,7-8H2,1-2,5H3/b9-6-/t12-,13-,14+,15+,16-,17+,20+/m0/s1
SMILES [C@H]12[C@H](C(=C)C[C@@H]([C@@H]3[C@H]1OC(=O)C3=C)OC(=O)/C(=C\C)/C)C[C@@H]1[C@@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis melampodina Ref.
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