input word = C00027037

Metabolite InformationStructural formula
Name Demethylasterriquinone B1
L 783281
Formula C32H30N2O4
Mw 506.22055746
CAS RN 78860-34-1
C_ID C00027037 ,
InChIKey WOZJOHXTJHXYCW-UHFFFAOYSA-N
InChICode InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-12-7-8-13-21(20)34-31)25-29(37)27(35)24(28(36)30(25)38)22-16-19-11-9-10-18(26(19)33-22)15-14-17(2)3/h6-14,16,33-35,38H,1,15H2,2-5H3
SMILES C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2cc3cccc(CC=C(C)C)c3[nH]2)=C(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiHyponectriaceaePseudomassaria sp. Ref.
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