input word = C00012101

Metabolite InformationStructural formula
Name Stizolicin
Formula C20H26O7
Mw 378.16785319
CAS RN 30994-28-6
C_ID C00012101 ,
InChIKey SUXRDYUTTDFKDJ-ARUAPDIHNA-N
InChICode InChI=1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5-,13-6+/t14-,15+,16-,17+,20+/m0/s1
SMILES [C@@H]1(C/C(=C\CC[C@@]2([C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)O2)C)/C)OC(=O)/C(=C/CO)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStizolophus coronopifolius Ref.
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