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SPF-32629B

PropertiesImage
MNX_IDMNXM108988 Image of MNXM108988
referencechebi:66518
formulaC18H19NO6
global charge0
mol weight345.351
InChIKeyRQSUJBPFSUWQSA-UHFFFAOYSA-N
InChIInChI=1S/C18H19NO6/c1-10(2)8-14(21)25-16(11-6-4-3-5-7-11)12-9-13(20)15(18(23)24)17(22)19-12/h3-7,9-10,16H,8H2,1-2H3,(H,23,24)(H2,19,20,22)
SMILESCC(C)CC(=O)OC(C1=CC=CC=C1)C1=CC(O)=C(C(=O)O)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C18H19NO6/c1-10(2)8-14(21)25-16(11-6-4-3-5-7-11)12-9-13(20)15(18(23)24)17(22)19-12/h3-7,9-10,16H,8H2,1-2H3,(H,23,24)(H2,19,20,22)/t16? Image of MNXM108988
SMILES (mnx)[CH3:1][CH:10]([CH3:2])[CH2:8][C:14](=[O:21])[O:25][CH:16]([C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:12]1=[CH:9][C:13]([OH:20])=[C:15]([C:18](=[O:23])[OH:24])[C:17]([OH:22])=[N:19]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66518
chebi:66518
RQSUJBPFSUWQSA-UHFFFAOYSA-N 		SPF-32629B
4-hydroxy-6-{[(3-methylbutanoyl)oxy](phenyl)methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid