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

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Muricinine

	Properties	Image
MNX_ID	MNXM128237
reference	hmdb:HMDB0030288
formula	C₁₈H₁₉NO₄
global charge	0
mol weight	313.353
InChIKey	POIRVLZGTSWEMG-UHFFFAOYSA-N
InChI	InChI=1S/C18H19NO4/c1-22-12-4-3-9-7-11-14-10(5-6-19-11)8-13(23-2)18(21)16(14)15(9)17(12)20/h3-4,8,11,19-21H,5-7H2,1-2H3
SMILES	COC1=C(O)C2=C(C=C1)CC1NCCC3=CC(OC)=C(O)C2=C31

MNX internals

InChI (mnx)	InChI=1/C18H19NO4/c1-22-12-4-3-9-7-11-14-10(5-6-19-11)8-13(23-2)18(21)16(14)15(9)17(12)20/h3-4,8,11,19-21H,5-7H2,1-2H3/t11?
SMILES (mnx)	[CH3:1][O:22][C:12]1=[C:17]([OH:20])[C:15]2=[C:9]([CH:3]=[CH:4]1)[CH2:7][CH:11]1[C:14]3=[C:16]2[C:18]([OH:21])=[C:13]([O:23][CH3:2])[CH:8]=[C:10]3[CH2:5][CH2:6][NH: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
Identifier	Description
hmdb:HMDB0030288 POIRVLZGTSWEMG-UHFFFAOYSA-N	Muricinine 1,11-Dihydroxy-2,10-dimethoxynoraporphine 4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,16-diol
hmdb:HMDB30288	secondary/obsolete/fantasy identifier