input word = C00016192

Metabolite InformationStructural formula
Name Kalimantacin C
Formula C29H46N2O7
Mw 534.33050184
CAS RN 174423-38-2
C_ID C00016192 ,
InChIKey VWVAAKIWHSCMIW-UHFFFAOYNA-N
InChICode InChI=1S/C29H46N2O7/c1-20(13-22(3)14-23(4)16-28(35)36)11-9-7-6-8-10-12-21(2)15-25(32)18-26(33)19-31-27(34)17-24(5)38-29(30)37/h6-8,10,16,21-22,24,26,33H,1,9,11-15,17-19H2,2-5H3,(H2,30,37)(H,31,34)(H,35,36)/b7-6+,10-8+,23-16+/t21-,22+,24-,26-/m1/s1
SMILES C(=O)(/C=C(/C[C@H](CC(=C)CC/C=C/C=C/C[C@H](CC(=O)C[C@H](CNC(=O)C[C@@H](C)OC(=O)N)O)C)C)\C)O
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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