input word = C00016218

Metabolite InformationStructural formula
Name Hydroxymycotrienin B
Formula C36H48N2O9
Mw 652.33598115
CAS RN 178550-62-4
C_ID C00016218 ,
InChIKey VFYQTGKSDWNROF-YMMZTMOANA-N
InChICode InChI=1S/C36H48N2O9/c1-22-14-13-18-27-32(42)28(21-30(40)33(27)43)38-31(41)20-26(46-4)17-11-6-5-7-12-19-29(39)23(2)34(22)47-36(45)24(3)37-35(44)25-15-9-8-10-16-25/h5-7,11-12,14,17,21,23-26,29,34,39,43H,8-10,13,15-16,18-20H2,1-4H3,(H,37,44)(H,38,41)/b6-5+,12-7-,17-11+,22-14+/t23-,24+,26+,29+,34-/m1/s1
SMILES C1C/C=C(/[C@H]([C@@H]([C@H](C/C=C\C=C\C=C\[C@@H](CC(=O)NC2=CC(=O)C(=C1C2=O)O)OC)O)C)OC(=O)[C@H](C)NC(=O)C1CCCCC1)\C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. BMJ958-62F4 Ref.
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