input word = C00042249

Metabolite InformationStructural formula
Name Asterrelenin
(+)-Asterrelenin
Formula C25H25N3O4
Mw 431.18450631
CAS RN 865092-90-6
C_ID C00042249 ,
InChIKey VQSXFZXCXRKORH-QAEGOOSCNA-N
InChICode InChI=1S/C25H25N3O4/c1-5-23(3,4)24-14-25(32)21(31)26-18-12-8-6-10-16(18)20(30)28(25)22(24)27(15(2)29)19-13-9-7-11-17(19)24/h5-13,22,32H,1,14H2,2-4H3,(H,26,31)/t22-,24+,25-/m0/s1
SMILES C1(=O)c2c(NC(=O)[C@@]3(N1[C@H]1[C@@](C3)(c3c(N1C(=O)C)cccc3)C(C)(C=C)C)O)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-His
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus terreus Ref.
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