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3,5-dioxo-6-[4,5,7-trihydroxy-3-(3-oxobutanoyl)naphthalen-2-yl]hexanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM147762

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₀H₁₇O₉

charge

-1

mass

401.08781

reference

InChIKey

KQWNMCHCVXVLRS-UHFFFAOYSA-M

InChI

InChI=1S/C20H18O9/c1-9(21)2-15(25)18-10(4-12(22)6-14(24)8-17(27)28)3-11-5-13(23)7-16(26)19(11)20(18)29/h3,5,7,23,26,29H,2,4,6,8H2,1H3,(H,27,28)/p-1

SMILES

CC(=O)CC(=O)c1c(CC(=O)CC(=O)CC(=O)[O-])cc2cc(O)cc(O)c2c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-16647 metacycM:CPD-16647 seed.compound:cpd35442 seedM:cpd35442	3,5-dioxo-6-[4,5,7-trihydroxy-3-(3-oxobutanoyl)naphthalen-2-yl]hexanoate 3,5-dioxo-6-[4,5,7-trihydroxy-3-(3-oxobutanoyl)naphthalen-2-yl]hexanoic acid
seedM:M_cpd35442	secondary/obsolete/fantasy identifier