input word = C00039310

Metabolite InformationStructural formula
Name Gymnastatin R
Formula C23H33Cl2NO4
Mw 457.17866397
CAS RN 1011269-07-0
C_ID C00039310 ,
InChIKey WDCSNVYLZCMUNB-OSWDQDLONA-N
InChICode InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-18-13-22(30)12-17(24)20(28)23(25,14-22)21(18)29/h9-12,15,18,21,29-30H,4-8,13-14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,18+,21+,22-,23+/m1/s1
SMILES C1(=C[C@]2(C[C@@H]([C@@H]([C@@](C1=O)(C2)Cl)O)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C)O)Cl
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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