input word = C00042823

Metabolite InformationStructural formula
Name Paecilosetin
Formula C22H31NO4
Mw 373.22530849
CAS RN 856258-89-4
C_ID C00042823 ,
InChIKey MOMBVLIMWZDBMW-UOLODVQJNA-N
InChICode InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27)/b6-5+,20-17+/t12-,13-,14+,15-,16-,18+,22+/m1/s1
SMILES C1=C[C@@H]2[C@H]([C@]([C@@H]1/C=C/C)(/C(=C\1/C(=O)[C@@H](NC1=O)[C@@H](C)O)/O)C)CC[C@H](C2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePaecilomyces farinosus Ref.
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