input word = C00017255

Metabolite InformationStructural formula
Name Enacyloxin IVa
Formula C33H47Cl2NO11
Mw 703.25261677
CAS RN 142386-37-6
C_ID C00017255 ,
InChIKey VSFNDCKKSCIXNV-UHFFFAOYNA-N
InChICode InChI=1S/C33H47Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-27,29-31,37-39,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12+/t20-,21-,23+,24-,25+,26+,27+,29+,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@@H]([C@@H](OC(=O)N)/C=C/CC)Cl)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. W-315 Ref.
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