input word = C00029241

Metabolite InformationStructural formula
Name Xanthobaccin C
Formula C29H38N2O5
Mw 494.27807234
CAS RN 251929-41-6
C_ID C00029241 ,
InChIKey XJKKNGWZUOQLDV-NJXZOTMSNA-N
InChICode InChI=1S/C29H38N2O5/c1-3-16-12-18-13-20-19-6-4-8-24(34)30-11-5-7-21-28(35)27(29(36)31-21)22(32)10-9-17(19)14-23(33)26(20)25(18)15(16)2/h4,8-10,15-21,25-26,35H,3,5-7,11-14H2,1-2H3,(H,30,34)(H,31,36)/b8-4-,10-9+/t15-,16-,17-,18-,19+,20+,21-,25+,26-/m0/s1
SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]4C/C=CC(=O)NCCC[C@@H]5NC(=O)C(=C5O)C(=O)/C=C/[C@@H]4CC(=O)[C@H]3[C@@H]2[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaXanthomonadaceaeXanthomonas sp. SB-K88 Ref.
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