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 C([C@@H]([C@@H]1[C@H](CCN1C(=O)[C@@H](N)C(C)C)OC(=O)CC(C)C)OC(=O)[C@H](NC(=O)[C@H](C)CC)Cc1ccccc1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces caespitosus Ref.
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