input word = C00017704

Metabolite InformationStructural formula
Name Estatin B
Formula C18H25N5O6
Mw 407.18048357
CAS RN 106396-24-1
C_ID C00017704 ,
InChIKey IVRMXEFFYRZNCU-UHFFFAOYNA-N
InChICode InChI=1S/C18H25N5O6/c19-18(20)22-8-2-1-7-21-15(25)12(9-10-3-5-11(24)6-4-10)23-16(26)13-14(29-13)17(27)28/h3-6,12-14,24H,1-2,7-9H2,(H,21,25)(H,23,26)(H,27,28)(H4,19,20,22)/t12-,13+,14+/m0/s1
SMILES N=C(N)NCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)C1OC1C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Myceliophthora thermophila M4323 Ref.
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