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

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1-phenanthrol

	Properties	Image
MNX_ID	MNXM5421
reference	chebi:27528
formula	C₁₄H₁₀O
global charge	0
mol weight	194.233
InChIKey	GTBXZWADMKOZQJ-UHFFFAOYSA-N
InChI	InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H
SMILES	OC1=CC=CC2=C1C=CC1=C2C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H
SMILES (mnx)	[CH:1]1=[CH:2][CH:5]=[C:11]2[C:10](=[CH:4]1)[CH:8]=[CH:9][C:13]1=[C:14]([OH:15])[CH:7]=[CH:3][CH:6]=[C:12]21

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27528 chebi:27528 GTBXZWADMKOZQJ-UHFFFAOYSA-N	1-phenanthrol 1-Phenanthrol 1-hydroxyphenanthrene 1-phenanthrenol phenanthren-1-ol
hmdb:HMDB0059797 GTBXZWADMKOZQJ-UHFFFAOYSA-N	1-Hydroxyphenanthrene 1-Phenanthrenol 1-hydroxyphenanthrene phenanthren-1-ol
envipath:...3812bbfabe3a envipathM:...3812bbfabe3a GTBXZWADMKOZQJ-UHFFFAOYSA-N	1-Phenanthrol
seed.compound:cpd08284 seedM:cpd08284 kegg.compound:C11432 keggC:C11432 GTBXZWADMKOZQJ-UHFFFAOYSA-N	1-Phenanthrol 1-Hydroxyphenanthrene
envipath:...f989a7e8af2c envipathM:...f989a7e8af2c GTBXZWADMKOZQJ-UHFFFAOYSA-N	compound 0041444
hmdb:HMDB59797 chebi:19081 chebi:667 keggC:M_C11432 seedM:M_cpd08284	secondary/obsolete/fantasy identifier