input word = C00042364

Metabolite InformationStructural formula
Name Chabrolobenzoquinone A
Formula C27H36O4
Mw 424.26135964
CAS RN 827038-33-5
C_ID C00042364 ,
InChIKey MMLRYQXCAKDHJW-PIIINLNPSA-N
InChICode InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)22(5)17-26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14+
SMILES C1=C(C(=O)C=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/C(=O)O)\CCC=C(C)C)\C)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea chabrolii Ref.
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