input word = C00042365

Metabolite InformationStructural formula
Name Chabrolobenzoquinone B
Formula C28H38O4
Mw 438.2770097
CAS RN 827038-34-6
C_ID C00042365 ,
InChIKey XYXUNDXHISWCCO-ROGVFRQDSA-N
InChICode InChI=1S/C28H38O4/c1-20(2)10-7-14-24(28(31)32-6)15-9-13-21(3)11-8-12-22(4)16-17-25-19-26(29)23(5)18-27(25)30/h10-11,15-16,18-19H,7-9,12-14,17H2,1-6H3/b21-11+,22-16+,24-15+
SMILES C1=C(C(=O)C=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/C(=O)OC)\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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