input word = C00016217

Metabolite InformationStructural formula
Name Hydroxymycotrienin A
Formula C36H48N2O9
Mw 652.33598115
CAS RN 178550-61-3
C_ID C00016217 ,
InChIKey DRLAPUYORJAEHQ-YMMZTMOANA-N
InChICode InChI=1S/C36H48N2O9/c1-22-14-13-18-27-33(42)28(21-29(39)34(27)43)38-31(40)20-26(46-4)17-11-6-5-7-12-19-30(23(2)32(22)41)47-36(45)24(3)37-35(44)25-15-9-8-10-16-25/h5-7,11-12,14,17,21,23-26,30,32,41,43H,8-10,13,15-16,18-20H2,1-4H3,(H,37,44)(H,38,40)/b6-5+,12-7-,17-11+,22-14+/t23-,24+,26+,30-,32-/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)OC(=O)[C@H](C)NC(=O)C1CCCCC1)C)O)\C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. BMJ958-62F4 Ref.
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