input word = C00042369

Metabolite InformationStructural formula
Name Chabrolobenzoquinone F
Formula C29H40O4
Mw 452.29265977
CAS RN 871915-31-0
C_ID C00042369 ,
InChIKey KAWZUHAIGPPTAK-LTZIXBDESA-N
InChICode InChI=1S/C29H40O4/c1-21(2)10-7-14-26(20-33-25(6)30)15-9-13-22(3)11-8-12-23(4)16-17-27-19-28(31)24(5)18-29(27)32/h10-11,15-16,18-19H,7-9,12-14,17,20H2,1-6H3/b22-11+,23-16+,26-15-
SMILES C1=C(C(=O)C=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(\COC(=O)C)/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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