input word = C00017932

Metabolite InformationStructural formula
Name Asperlicin B
Formula C31H29N5O5
Mw 551.21686907
CAS RN 93413-08-2
C_ID C00017932 ,
InChIKey SVMKNJGSJSFLSU-RZJMUOHJNA-N
InChICode InChI=1S/C31H29N5O5/c1-17(2)15-25-29(39)35-24-14-8-5-11-20(24)31(40,30(35)36(25)41)16-22-26-32-21-12-6-3-9-18(21)28(38)34(26)23-13-7-4-10-19(23)27(37)33-22/h3-14,17,22,25,30,40-41H,15-16H2,1-2H3,(H,33,37)/t22-,25-,30+,31-/m0/s1
SMILES [C@@H]1(C(=O)N2[C@H](N1O)[C@](c1c2cccc1)(O)C[C@H]1c2n(c3c(C(=O)N1)cccc3)c(=O)c1c(n2)cccc1)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus alliaceus ATCC 20655 Ref.
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