input word = C00020461

Metabolite InformationStructural formula
Name Isoepoxyestafiatin
Formula C15H18O4
Mw 262.12050906
CAS RN 139343-89-8
C_ID C00020461 ,
InChIKey DQRKUDIDIYSHPH-FNMUWYCLNA-N
InChICode InChI=1S/C15H18O4/c1-7-8-4-5-13(2)15(19-13)6-9-14(3,18-9)11(15)10(8)17-12(7)16/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-,11-,13-,14+,15+/m0/s1
SMILES [C@@H]12[C@@H]3[C@@]4([C@](CC[C@H]1C(=C)C(=O)O2)(O4)C)C[C@@H]1[C@]3(O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLidbeckia pectinata Ref.
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