input word = C00042379

Metabolite InformationStructural formula
Name Chabrolonaphthoquinone A
Formula C27H32O4
Mw 420.23005951
CAS RN 827038-28-8
C_ID C00042379 ,
InChIKey UQVKETMBFLZESD-ZEGMUUQVSA-N
InChICode InChI=1S/C27H32O4/c1-18(2)8-5-12-22(27(30)31)13-7-10-19(3)9-6-11-21-14-15-23-24(17-21)26(29)20(4)16-25(23)28/h8-9,13-17H,5-7,10-12H2,1-4H3,(H,30,31)/b19-9+,22-13+
SMILES c1c(CC/C=C(/CC/C=C(/C(=O)O)\CCC=C(C)C)\C)ccc2c1C(=O)C(=CC2=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea chabrolii Ref.
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