input word = C00028316

Metabolite InformationStructural formula
Name Gymnastatin B
Formula C24H35Cl2NO5
Mw 487.18922866
CAS RN 195729-57-8
C_ID C00028316 ,
InChIKey HCHKYWWJMUJBHB-CMPPAWDNNA-N
InChICode InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-24(32-23(18)31-4)13-17(25)21(29)20(26)22(24)30/h10-13,15,18,20,22-23,30H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18+,20-,22-,23-,24+/m1/s1
SMILES CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Cl)C(=O)C(Cl)[C@H]2O)O[C@H]1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
FungiGymnoascaceaeGymnascella dankaliensis Ref.
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OrganismGymnascella dankaliensis
ReferenceNumata,Tetrahedron Lett.,38,(1997),5675