input word = C00017254

Metabolite InformationStructural formula
Name Enacyloxin IIIa
Formula C33H48ClNO11
Mw 669.29158909
CAS RN 142007-36-1
C_ID C00017254 ,
InChIKey KYUGUCCBHWHGBL-UHFFFAOYNA-N
InChICode InChI=1S/C33H48ClNO11/c1-4-5-12-24(45-33(35)44)18-23(36)19-27(38)31(41)30(40)21(3)25(34)13-8-6-10-20(2)11-7-9-14-29(39)46-28-17-22(32(42)43)15-16-26(28)37/h5-14,21-24,26-28,30-31,36-38,40-41H,4,15-19H2,1-3H3,(H2,35,44)(H,42,43)/b8-6+,11-7+,12-5-,14-9+,20-10+,25-13+/t21-,22+,23-,24-,26+,27+,28+,30-,31-/m1/s1
SMILES [C@@H]1(CC[C@@H](C[C@@H]1OC(=O)/C=C/C=C/C(=C/C=C/C=C(\[C@H]([C@H]([C@@H]([C@H](C[C@H](O)C[C@H](OC(=O)N)/C=C\CC)O)O)O)C)/Cl)/C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
--XanthomonadaceaeFrateuria sp. Ref.
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