input word = C00046979

Metabolite InformationStructural formula
Name Xestosin A
Formula C30H50N2O2
Mw 470.38722885
CAS RN 290820-78-9
C_ID C00046979 ,
InChIKey OCNVVYBTRKWBCO-JPQFYDJONA-N
InChICode InChI=1S/C30H50N2O2/c1-21-19-31-17-9-13-23-11-6-4-8-16-26-28-24(14-10-18-32(28)20-22(2)30(26)34)12-5-3-7-15-25(27(23)31)29(21)33/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24+,25+,26+,27-,28+/m1/s1
SMILES [C@H]1(CN2[C@@H]3[C@@H](C1=O)CCCCC[C@H]1[C@@H]4[C@H](CCCCC[C@H]3CCC2)C(=O)[C@@H](CN4CCC1)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia exigua Ref.
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OrganismXestospongia exigua
ReferenceIwagawa,J.Nat.Prod.,63,(2000),1310