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novobiocic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM7599

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₂H₂₀NO₆

charge

-1

mass

394.12961

reference

InChIKey

NMCFFEJWADWZTI-UHFFFAOYSA-M

InChI

InChI=1S/C22H21NO6/c1-11(2)4-5-13-10-14(6-8-17(13)25)21(27)23-18-19(26)15-7-9-16(24)12(3)20(15)29-22(18)28/h4,6-10,24-26H,5H2,1-3H3,(H,23,27)/p-1

SMILES

CC(C)=CCc1cc(C(=O)Nc2c([O-])c3ccc(O)c(C)c3oc2=O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73953 chebi:73953	novobiocic acid 7-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate novobiocic acid anion novobiocic acid(1-)
sabiork.compound:14506 sabiorkM:14506 kegg.compound:C12474 keggC:C12474	Novobiocic acid
seed.compound:cpd09217 seedM:cpd09217	Novobiocic acid N-(2,7-dihydroxy-8-methyl-4-oxo-4H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide novobiocic acid
metacyc.compound:CPD-15415 metacycM:CPD-15415	novobiocic acid N-(2,7-dihydroxy-8-methyl-4-oxo-4H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
CHEBI:31923 chebi:31923	novobiocic acid N-(4,7-Dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)benzamide N-(4,7-dihydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide Novobiocic acid
keggC:M_C12474 seedM:M_cpd09217	secondary/obsolete/fantasy identifier