input word = C00002338

Metabolite InformationStructural formula
Name Exserohilone
Formula C20H22N2O6S2
Mw 450.09192791
CAS RN 99572-22-2
C_ID C00002338 ,
InChIKey FWPMSYUTOOUASJ-LPSMJYSZNA-N
InChICode InChI=1S/C20H22N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3-6,9-10,13-16,25-26H,7-8H2,1-2H3/t9-,10-,13+,14+,15+,16+,19-,20-/m0/s1
SMILES [C@]12(N([C@@H]3[C@@H](C1)C(=O)C=C[C@H]3O)C(=O)[C@@]1(N([C@@H]3[C@@H](C1)C(=O)C=C[C@H]3O)C2=O)SC)SC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
PlantaePoaceaeDactyloctenium aegyptium Ref.
--Exserohilum holmii Ref.
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