MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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noranthrone

	Properties	Image
MNX_ID	MNXM12483
reference	chebi:77904
formula	C₂₀H₁₉O₆
global charge	-1
mol weight	355.366
InChIKey	CIFXLTLZYCPTJK-UHFFFAOYSA-M
InChI	InChI=1S/C20H20O6/c1-2-3-4-5-13(22)18-14(23)8-11-6-10-7-12(21)9-15(24)16(10)19(25)17(11)20(18)26/h7-9,21,23-24,26H,2-6H2,1H3/p-1
SMILES	CCCCCC(=O)C1=C(O)C=C2CC3=C(C(=O)C2=C1O)C(O)=CC([O-])=C3

MNX internals

InChI (mnx)	InChI=1/C20H20O6/c1-2-3-4-5-13(22)18-14(23)8-11-6-10-7-12(21)9-15(24)16(10)19(25)17(11)20(18)26/h7-9,21,23-24,26H,2-6H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:13]([C:18]1=[C:14]([OH:23])[CH:8]=[C:11]2[CH2:6][C:10]3=[C:16]([C:15]([OH:24])=[CH:9][C:12]([OH:21])=[CH:7]3)[C:19](=[O:25])[C:17]2=[C:20]1[OH:26])=[O:22]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77904 chebi:77904 CIFXLTLZYCPTJK-UHFFFAOYSA-M	noranthrone 6-hexanoyl-4,5,7-trihydroxy-10-oxo-9,10-dihydroanthracen-2-olate norsolorinic acid anthrone(1-)
kegg.compound:C20453 keggC:C20453 CIFXLTLZYCPTJK-UHFFFAOYSA-N	Norsolorinic acid anthrone 2-Hexanoyl-1,3,6,8-tetrahydroxyanthracen-9(10H)-one Noranthrone
CHEBI:71345 chebi:71345 CIFXLTLZYCPTJK-UHFFFAOYSA-L	norsolorinate anthrone(2-) 3-hexanoyl-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2,7-diolate norsolorinate anthrone norsolorinic acid anthrone(2-)
seed.compound:cpd23483 seedM:cpd23483 CIFXLTLZYCPTJK-UHFFFAOYSA-N	norsolorinate anthrone 2-Hexanoyl-1,3,6,8-tetrahydroxyanthracen-9(10H)-one 3-hexanoyl-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2,7-diolate Noranthrone Norsolorinic acid anthrone noranthrone norsolorinic acid anthrone
metacyc.compound:CPD-12588 metacycM:CPD-12588 CIFXLTLZYCPTJK-UHFFFAOYSA-L	norsolorinate anthrone 3-hexanoyl-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2,7-diolate noranthrone norsolorinic acid anthrone
CHEBI:71354 chebi:71354 CIFXLTLZYCPTJK-UHFFFAOYSA-N	norsolorinic acid anthrone 2-hexanoyl-1,3,6,8-tetrahydroxyanthracen-9(10H)-one
keggC:M_C20453 seedM:M_cpd23483	secondary/obsolete/fantasy identifier