input word = C00017996

Metabolite InformationStructural formula
Name Detoxin D3
Formula C30H45N3O8
Mw 575.32066544
CAS RN 53481-51-9
C_ID C00017996 ,
InChIKey BWZNRTLXAXOFFK-UHFFFAOYNA-N
InChICode InChI=1S/C30H45N3O8/c1-7-19(6)27(36)32-21(15-20-11-9-8-10-12-20)30(39)41-23(16-24(34)35)26-22(40-29(38)18(4)5)13-14-33(26)28(37)25(31)17(2)3/h8-12,17-19,21-23,25-26H,7,13-16,31H2,1-6H3,(H,32,36)(H,34,35)/t19-,21-,22+,23+,25-,26-/m0/s1
SMILES C([C@H]([C@@H]1[C@@H](CCN1C(=O)[C@@H](N)C(C)C)OC(=O)C(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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