input word = C00016617

Metabolite InformationStructural formula
Name YF 044P-D
Formula C43H57N5O9
Mw 787.41562846
CAS RN 158335-52-5
C_ID C00016617 ,
InChIKey AQRATHKYNQIHRE-UHFFFAOYNA-N
InChICode InChI=1S/C43H57N5O9/c1-26(2)39(47-36(51)23-31-19-13-8-14-20-31)43(57)48-40(27(3)4)42(56)46-32(21-29-15-9-6-10-16-29)34(49)24-37(52)44-28(5)41(55)45-33(35(50)25-38(53)54)22-30-17-11-7-12-18-30/h6-20,26-28,32-35,39-40,49-50H,21-25H2,1-5H3,(H,44,52)(H,45,55)(H,46,56)(H,47,51)(H,48,57)(H,53,54)/t28-,32-,33+,34+,35-,39+,40-/m0/s1
SMILES [C@@H](NC(=O)[C@@H](NC(=O)C[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C)C(C)C)Cc1ccccc1)O)C)(Cc1ccccc1)[C@H](CC(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. YF-044P Ref.
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