input word = C00016138

Metabolite InformationStructural formula
Name Asterriquinone SU 5503
Formula C33H30N2O6
Mw 550.21038671
CAS RN 226562-14-7
C_ID C00016138 ,
InChIKey PIXWEIAVORPJGI-UHFFFAOYSA-N
InChICode InChI=1S/C33H30N2O6/c1-16(2)12-14-22-24(18-8-5-6-11-21(18)34-22)26-29(36)31(38)27(32(39)30(26)37)25-19-9-7-10-20(33(40)41)28(19)35-23(25)15-13-17(3)4/h5-13,34-36,39H,14-15H2,1-4H3,(H,40,41)
SMILES CC(C)=CCc1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c(CC=C(C)C)[nH]c3c(C(=O)O)cccc23)=C(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus candidus Ref.
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