input word = C00029240

Metabolite InformationStructural formula
Name Xanthobaccin B
Formula C29H40N2O6
Mw 512.28863702
CAS RN 218296-14-1
C_ID C00029240 ,
InChIKey ORNAXAMDOONKBX-CHEGUOJONA-N
InChICode InChI=1S/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,33-34,36H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+/t14-,15-,16-,17-,18+,19+,21+,22-,24+,25-,27-/m0/s1
SMILES [C@@H]12[C@H](C[C@H]3[C@H]([C@H]1C[C@H]1[C@H]2[C@H]([C@H](C1)CC)C)C/C=C\C(=O)NCC[C@H]([C@H]1C(=C(C(=O)/C=C/3)C(=O)N1)O)O)O
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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