input word = C00042376

Metabolite InformationStructural formula
Name Chabrolohydroxybenzoquinone E
Formula C27H40O3
Mw 412.29774514
CAS RN 871915-34-3
C_ID C00042376 ,
InChIKey XWQHOLPJPWBQKN-OGAFFEMYNA-N
InChICode InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6,30)17-15-24-19-25(28)23(5)18-26(24)29/h10,12,14-15,17-19,28-30H,7-9,11,13,16H2,1-6H3/b17-15-,21-12+,22-14+/t27-/m1/s1
SMILES c1c(c(cc(c1O)/C=C\[C@@](CC/C=C(/CC/C=C(\C)/CCC=C(C)C)\C)(O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea chabrolii Ref.
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