input word = C00045043

Metabolite InformationStructural formula
Name Renieramycin J
Formula C33H38N2O9
Mw 606.25773083
CAS RN 500111-59-1
C_ID C00045043 ,
InChIKey QEEORNSQNFHORE-KMAUNIIANA-N
InChICode InChI=1S/C33H38N2O9/c1-9-14(2)33(41)44-13-23-24-18(27(37)16(4)31(42-7)29(24)39)12-22-26-25-19(28(38)17(5)32(43-8)30(25)40)11-20(34(26)6)21(35(22)23)10-15(3)36/h9,20-23,26H,10-13H2,1-8H3/b14-9-/t20-,21-,22-,23-,26-/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](CC(C)=O)N13)N4C)C(=O)C(C)=C(OC)C5=O)C(=O)C(C)=C(OC)C2=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Neopetrosia sp. Ref.
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