Nakijiquinone A

SpectraBase Compound ID	1SIQqNbxa8f
InChI	InChI=1S/C23H31NO5/c1-13-6-5-7-18-22(13,3)9-8-14(2)23(18,4)11-15-20(28)16(24-12-19(26)27)10-17(25)21(15)29/h6,10,14,18,24,29H,5,7-9,11-12H2,1-4H3,(H,26,27)/t14-,18+,22+,23+/m0/s1
InChIKey	SCTQYYSQPUVRHV-LAHPKLRZSA-N Google Search
Mol Weight	401.5 g/mol
Molecular Formula	C23H31NO5
Exact Mass	401.220223 g/mol

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SpectraBase Spectrum ID	7wp4fzI3VCO
Name	Nakijiquinone A
Alternate Name(s)	2-[[5-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxy-3,4-diketo-cyclohexa-1,5-dien-1-yl]amino]acetic acid 2-[[5-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxy-3,4-dioxo-1-cyclohexa-1,5-dienyl]amino]acetic acid 2-[[5-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxy-3,4-dioxo-cyclohexa-1,5-dien-1-yl]amino]acetic acid 2-[[5-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-oxidanyl-3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]amino]ethanoic acid [(5-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-6-hydroxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]acetic acid
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Formula	C23H31NO5
InChI	InChI=1S/C23H31NO5/c1-13-6-5-7-18-22(13,3)9-8-14(2)23(18,4)11-15-20(28)16(24-12-19(26)27)10-17(25)21(15)29/h6,10,14,18,24,29H,5,7-9,11-12H2,1-4H3,(H,26,27)/t14-,18+,22+,23+/m0/s1
InChIKey	SCTQYYSQPUVRHV-LAHPKLRZSA-N
Molecular Weight	401.503 g/mol
SMILES	N(C=1C(C(=C(C(C1)=O)O)C[C@]1([C@]2([C@](C(C)=CCC2)(C)CC[C@@]1(C)[H])[H])C)=O)CC(=O)O
SPLASH	splash10-0002-9210000000-26226647a44be1bc7b17
Source of Spectrum	F-50-8353-1
Wiley ID	1370020