input word = C00043864

Metabolite InformationStructural formula
Name Renieramycin S
(-)-Renieramycin S
Formula C30H31N3O8
Mw 561.21111499
CAS RN 724707-55-5
C_ID C00043864 ,
InChIKey FSDHSSHYVUZGFT-STZZEVCHNA-N
InChICode InChI=1S/C30H31N3O8/c1-7-12(2)30(39)41-11-20-21-15(24(34)13(3)26(36)27(21)37)9-18-23-22-16(25(35)14(4)29(40-6)28(22)38)8-17(32(23)5)19(10-31)33(18)20/h7,17-20,23,36H,8-9,11H2,1-6H3/b12-7-/t17-,18-,19-,20-,23-/m0/s1
SMILES C/C=C(/C)C(=O)OC[C@H]1C2=C(C[C@H]3[C@H]4C5=C(C[C@@H]([C@H](C#N)N13)N4C)C(=O)C(C)=C(OC)C5=O)C(=O)C(C)=C(O)C2=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia sp. Ref.
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