input word = C00017998

Metabolite InformationStructural formula
Name Detoxin D5
Formula C31H47N3O8
Mw 589.3363155
CAS RN 53481-53-1
C_ID C00017998 ,
InChIKey RCQVEDRTWSVZFU-UHFFFAOYNA-N
InChICode InChI=1S/C31H47N3O8/c1-7-20(6)29(38)33-22(16-21-11-9-8-10-12-21)31(40)42-24(17-25(35)36)28-23(41-26(37)15-18(2)3)13-14-34(28)30(39)27(32)19(4)5/h8-12,18-20,22-24,27-28H,7,13-17,32H2,1-6H3,(H,33,38)(H,35,36)/t20-,22-,23+,24+,27+,28+/m1/s1
SMILES CCC(C)C(=O)NC(Cc1ccccc1)C(=O)OC(CC(=O)O)C1C(OC(=O)CC(C)C)CCN1C(=O)C(N)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces caespitosus Ref.
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