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luteothin

Properties

Image

Occurences in reactions

MNX_ID

MNXM746882

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₂H₂₅NO₅

charge

mass

383.444

reference

chebi:142840

InChIKey

QJCZWAGFDPHLHZ-QUMQEAAQSA-N

InChI

InChI=1S/C22H25NO5/c1-14(6-11-20-16(3)21(24)17(4)22(27-5)28-20)12-15(2)13-18-7-9-19(10-8-18)23(25)26/h7-10,12-13H,6,11H2,1-5H3/b14-12+,15-13+

SMILES

[CH3:1]/[C:14]([CH2:6][CH2:11][c:20]1[c:16]([CH3:3])[c:21](=[O:24])[c:17]([CH3:4])[c:22]([O:27][CH3:5])[o:28]1)=[CH:12]\[C:15]([CH3:2])=[CH:13]\[c:18]1[cH:7][cH:9][c:19]([N+:23]([O-:25])=[O:26])[cH:10][cH:8]1

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:142840 chebi:142840	luteothin 2-[(3E,5E)-3,5-dimethyl-6-(4-nitrophenyl)hexa-3,5-dien-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one deoxyaureothin
kegg.compound:C22079 keggC:C22079	Luteothin 2-[(3E,5E)-3,5-Dimethyl-6-(4-nitrophenyl)hexa-3,5-dien-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one Deoxyaureothin
metacyc.compound:CPD-21800 metacycM:CPD-21800	luteothin 2-[(3E,5E)-3,5-dimethyl-6-(4-nitrophenyl)hexa-3,5-dien-1-yl]-6-methoxy-3,5-dimethylpyran-4-one deoxyaureothin
keggC:M_C22079	secondary/obsolete/fantasy identifier