input word = C00011362

Metabolite InformationStructural formula
Name Rosellichalasin
Formula C28H33NO5
Mw 463.23587317
CAS RN 123452-64-2
C_ID C00011362 ,
InChIKey XNIXILZHFOBLTQ-MNQLTHFENA-N
InChICode InChI=1S/C28H33NO5/c1-16-9-8-12-20-25-27(4,34-25)18(3)23-21(15-19-10-6-5-7-11-19)29-26(32)28(20,23)33-22(30)14-13-17(2)24(16)31/h5-8,10-13,16,18,20-21,23,25H,9,14-15H2,1-4H3,(H,29,32)/b12-8+,17-13+/t16-,18-,20-,21-,23-,25-,27+,28+/m0/s1
SMILES c1(C[C@@H]2NC(=O)[C@]34[C@H]2[C@@H]([C@@]2([C@H]([C@@H]3/C=C/C[C@@H](C(=O)/C(=C/CC(=O)O4)/C)C)O2)C)C)ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe IPP L-His
Organism
Kingdom Family Species Reference
FungiXylariaceaeRosellinia necatrix Ref.
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