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8-desmethylnovobiocic acid

PropertiesImage
MNX_IDMNXM145701 Image of MNXM145701
referencechebi:73954
formulaC21H18NO6
global charge-1
mol weight380.376
InChIKeyHVPRXGNWCQFXRR-UHFFFAOYSA-M
InChIInChI=1S/C21H19NO6/c1-11(2)3-4-12-9-13(5-8-16(12)24)20(26)22-18-19(25)15-7-6-14(23)10-17(15)28-21(18)27/h3,5-10,23-25H,4H2,1-2H3,(H,22,26)/p-1
SMILESCC(C)=CCC1=CC(C(=O)NC2=C([O-])C3=C(C=C(O)C=C3)OC2=O)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C21H19NO6/c1-11(2)3-4-12-9-13(5-8-16(12)24)20(26)22-18-19(25)15-7-6-14(23)10-17(15)28-21(18)27/h3,5-10,23-25H,4H2,1-2H3,(H,22,26) Image of MNXM145701
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:3][CH2:4][C:12]1=[C:16]([OH:24])[CH:8]=[CH:5][C:13]([C:20]([NH:22][C:18]2=[C:19]([OH:25])[C:15]3=[C:17]([CH:10]=[C:14]([OH:23])[CH:6]=[CH:7]3)[O:28][C:21]2=[O:27])=[O:26])=[CH:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73954
chebi:73954
HVPRXGNWCQFXRR-UHFFFAOYSA-M 		8-desmethylnovobiocic acid
7-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-2-oxo-2H-chromen-4-olate
8-demethylnovobiocic acid(1-)
8-desmethylnovobiocic acid anion
8-desmethylnovobiocic acid(1-)

kegg.compound:C20629
keggC:C20629
HVPRXGNWCQFXRR-UHFFFAOYSA-N 		8-Demethylnovobiocic acid

seed.compound:cpd31240
seedM:cpd31240
HVPRXGNWCQFXRR-UHFFFAOYSA-M 		8-Demethylnovobiocic acid
8-demethylnovobiocic acid

metacyc.compound:CPD-15416
metacycM:CPD-15416
HVPRXGNWCQFXRR-UHFFFAOYSA-M 		8-demethylnovobiocic acid

CHEBI:74005
chebi:74005
HVPRXGNWCQFXRR-UHFFFAOYSA-N 		8-desmethylnovobiocic acid
8-demethylnovobiocic acid
N-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide

keggC:M_C20629
seedM:M_cpd31240 		secondary/obsolete/fantasy identifier