input word = C00011333

Metabolite InformationStructural formula
Name Cytochalasin U
Formula C30H39NO5
Mw 493.28282336
CAS RN 145040-61-5
C_ID C00011333 ,
InChIKey OCZJGPJVAQGKFA-PEIODGCVNA-N
InChICode InChI=1S/C30H39NO5/c1-19-9-8-12-24-16-23(18-32)20(2)27-25(15-22-10-6-5-7-11-22)31-28(34)30(24,27)26(36-21(3)33)13-14-29(4,35)17-19/h5-8,10-14,16,19-20,24-27,32,35H,9,15,17-18H2,1-4H3,(H,31,34)/b12-8+,14-13+/t19-,20+,24-,25-,26+,27-,29-,30+/m0/s1
SMILES c1cc(ccc1)C[C@@H]1NC(=O)[C@]23[C@H]1[C@@H](C(=C[C@@H]2/C=C/C[C@@H](C[C@](/C=C/[C@H]3OC(=O)C)(O)C)C)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
FungiAmphisphaeriaceaePestalotia sp. Ref.
--Geniculosporium sp. Ref.
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