input word = C00017994

Metabolite InformationStructural formula
Name (-)-Detoxin D1
Detoxin D1
Formula C28H41N3O8
Mw 547.28936531
CAS RN 37878-19-6
C_ID C00017994 ,
InChIKey GOZDOQQVOQTNBQ-UHFFFAOYNA-N
InChICode InChI=1S/C28H41N3O8/c1-6-17(4)26(35)30-20(14-19-10-8-7-9-11-19)28(37)39-22(15-23(33)34)25-21(38-18(5)32)12-13-31(25)27(36)24(29)16(2)3/h7-11,16-17,20-22,24-25H,6,12-15,29H2,1-5H3,(H,30,35)(H,33,34)/t17-,20-,21-,22-,24+,25+/m0/s1
SMILES CCC(C)C(=O)NC(Cc1ccccc1)C(=O)OC(CC(=O)O)C1C(OC(C)=O)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.
zoom in