input word = C00042373

Metabolite InformationStructural formula
Name Chabrolohydroxybenzoquinone B
Formula C28H40O5
Mw 456.28757439
CAS RN 827038-30-2
C_ID C00042373 ,
InChIKey WPIXESJVBMTAJK-CABCBHDDNA-N
InChICode InChI=1S/C28H40O5/c1-20(2)10-7-13-23(27(31)33-6)14-8-11-21(3)12-9-16-28(5,32)17-15-24-19-25(29)22(4)18-26(24)30/h10,12,14-15,17-19,29-30,32H,7-9,11,13,16H2,1-6H3/b17-15-,21-12+,23-14+/t28-/m0/s1
SMILES COC(=O)/C(=C/CC/C(C)=C/CCC(C)(O)/C=Cc1cc(O)c(C)cc1O)CCC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea chabrolii Ref.
zoom in



OrganismNephthea chabrolii
ReferenceSu,J.Nat.Prod.,68,(2005),1651