input word = C00042372

Metabolite InformationStructural formula
Name Chabrolohydroxybenzoquinone A
Formula C27H38O5
Mw 442.27192432
CAS RN 827038-29-9
C_ID C00042372 ,
InChIKey CSICLPIRUBSEIB-ZLAGLDBCNA-N
InChICode InChI=1S/C27H38O5/c1-19(2)9-6-12-22(26(30)31)13-7-10-20(3)11-8-15-27(5,32)16-14-23-18-24(28)21(4)17-25(23)29/h9,11,13-14,16-18,28-29,32H,6-8,10,12,15H2,1-5H3,(H,30,31)/b16-14-,20-11+,22-13+/t27-/m0/s1
SMILES c1c(c(cc(c1O)/C=C\[C@](CC/C=C(/CC/C=C(/C(=O)O)\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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