input word = C00017082

Metabolite InformationStructural formula
Name Synerazol
Formula C22H23NO7
Mw 413.1474521
CAS RN 127941-81-5
C_ID C00017082 ,
InChIKey UCUHTBUWKCQZNJ-CAMBLGSMNA-N
InChICode InChI=1S/C22H23NO7/c1-4-5-11-14-16(29-14)15-12(2)17(24)21(30-15)19(26)22(28-3,23-20(21)27)18(25)13-9-7-6-8-10-13/h5-11,14,16,19,26H,4H2,1-3H3,(H,23,27)/b11-5-/t14-,16+,19-,21-,22-/m1/s1
SMILES C1(=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c1ccccc1)OC)O)C)[C@H]1O[C@@H]1/C=C\CC
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus SANK 10588 Ref.
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