input word = C00016329

Metabolite InformationStructural formula
Name Semicochliodinol A
Formula C27H22N2O4
Mw 438.15795721
CAS RN 194224-72-1
C_ID C00016329 ,
InChIKey XNQAJERZSLDENY-UHFFFAOYSA-N
InChICode InChI=1S/C27H22N2O4/c1-14(2)7-8-15-9-10-21-17(11-15)19(13-29-21)23-26(32)24(30)22(25(31)27(23)33)18-12-28-20-6-4-3-5-16(18)20/h3-7,9-13,28-30,33H,8H2,1-2H3
SMILES c1ccc2c(c1)c(c[nH]2)C1=C(C(=O)C(=C(C1=O)O)c1c[nH]c2c1cc(cc2)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Chrysosporium merdarium P-5656 Ref.
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