input word = C00028315

Metabolite InformationStructural formula
Name Gymnastatin A
Formula C23H31Cl2NO4
Mw 455.16301391
CAS RN 195729-55-6
C_ID C00028315 ,
InChIKey NGXMXBNROHVABT-MGZFFHRGNA-N
InChICode InChI=1S/C23H31Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-20(27)26-19-14-23(30-22(19)29)12-17(24)21(28)18(25)13-23/h9-13,15,19,22,29H,4-8,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,19+,22-/m1/s1
SMILES CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(C=C(Cl)C(=O)C(Cl)=C2)OC1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiGymnoascaceaeGymnascella dankaliensis Ref.
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