input word = C00016139

Metabolite InformationStructural formula
Name Asterriquinone SU 5501
Formula C32H30N2O4
Mw 506.22055746
CAS RN 226562-16-9
C_ID C00016139 ,
InChIKey FJOQPUCVRMFCHJ-UHFFFAOYSA-N
InChICode InChI=1S/C32H30N2O4/c1-6-32(4,5)34-17-23(20-11-7-8-13-24(20)34)26-30(37)28(35)25(29(36)31(26)38)22-16-33-27-19(15-14-18(2)3)10-9-12-21(22)27/h6-14,16-17,33,35,38H,1,15H2,2-5H3
SMILES c12c(cccc1)n(cc2C1=C(C(=O)C(=C(C1=O)O)c1c2c([nH]c1)c(ccc2)CC=C(C)C)O)C(C)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus candidus Ref.
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