input word = C00016161

Metabolite InformationStructural formula
Name Nerfilin I
YM 51084
Formula C28H37N3O5
Mw 495.27332131
CAS RN 165189-77-5
C_ID C00016161 ,
InChIKey MWFNFXJJXCNWSP-DWHFRBRKNA-N
InChICode InChI=1S/C28H37N3O5/c1-18(2)14-25(34)30-24(16-21-10-12-23(33)13-11-21)27(35)31-26(19(3)4)28(36)29-22(17-32)15-20-8-6-5-7-9-20/h5-13,17-19,22,24,26,33H,14-16H2,1-4H3,(H,29,36)(H,30,34)(H,31,35)/t22-,24-,26-/m0/s1
SMILES c1(ccc(cc1)C[C@H](NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C=O)Cc1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces halstedii 2723-SV2 Ref.
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