input word = C00016191

Metabolite InformationStructural formula
Name Kalimantacin B
Formula C30H48N2O7
Mw 548.3461519
CAS RN 174513-96-3
C_ID C00016191 ,
InChIKey GENAAYFYLGYPIQ-FFPWVZAVNA-N
InChICode InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7+,11-9+,23-17+/t21-,22+,24+,25-,27+/m0/s1
SMILES C([C@H](O)CC(=O)C[C@H](C/C=C/C=C/CCC(=C)C[C@H](C/C(=C/C(=O)O)/C)C)C)NC(=O)[C@@H]([C@H](C)OC(=O)N)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
BacteriaAlcaligenaceaeAlcaligenes sp. YL-02632S Ref.
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