input word =
C00024785
Metabolite Information
Structural formula
Name
Cytochalasin E
Formula
C28H33NO7
Mw
495.22570242
CAS RN
36011-19-5
C_ID
C00024785 ,
InChIKey
LAJXCUNOQSHRJO-QJSTZSBRNA-N
InChICode
InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
SMILES
[C@@]123[C@@H]([C@@H]([C@@]4([C@H]([C@@H]1/C=C/C[C@@H](C(=O)[C@@](/C=C/OC(=O)O3)(O)C)C)O4)C)C)[C@@H](NC2=O)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
L-Trp
L-Asp
L-Phe
IPP
L-His
Organism
Kingdom
Family
Species
Reference
Fungi
Trichocomaceae
Aspergillus clavatus
Ref.
Fungi
Xylariaceae
Rosellinia necatrix
Ref.
-
-
Rhinocladiella sp.
Ref.
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