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

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phenanthrene-3,4-diol

	Properties	Image
MNX_ID	MNXM3080
reference	chebi:16760
formula	C₁₄H₁₀O₂
global charge	0
mol weight	210.232
InChIKey	RLZZZVKAURTHCP-UHFFFAOYSA-N
InChI	InChI=1S/C14H10O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,15-16H
SMILES	OC1=C(O)C2=C(C=CC3=CC=CC=C32)C=C1

MNX internals

InChI (mnx)	InChI=1/C14H10O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,15-16H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:11]2[C:9](=[CH:3]1)[CH:5]=[CH:6][C:10]1=[C:13]2[C:14]([OH:16])=[C:12]([OH:15])[CH:8]=[CH:7]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16760 chebi:16760 RLZZZVKAURTHCP-UHFFFAOYSA-N	phenanthrene-3,4-diol 3,4-Dihydroxyphenanthrene 3,4-dihydroxyphenanthrene 3,4-phenanthrenediol Morphol Phenanthrene-3,4-diol
envipath:...73ae888fa8b6 envipathM:...73ae888fa8b6 RLZZZVKAURTHCP-UHFFFAOYSA-N	3,4-Dihydroxyphenanthrene
kegg.compound:C03164 keggC:C03164 RLZZZVKAURTHCP-UHFFFAOYSA-N	Phenanthrene-3,4-diol 3,4-Dihydroxyphenanthrene
hmdb:HMDB0254894 RLZZZVKAURTHCP-UHFFFAOYSA-N	Phenanthrene-3,4-diol 3,4-Dihydroxyphenanthrene 3,4-Phenanthrenediol Morphol morphol phenanthrene-3,4-diol
seed.compound:cpd02022 seedM:cpd02022 RLZZZVKAURTHCP-UHFFFAOYSA-N	Phenanthrene-3,4-diol 3,4-Dihydroxyphenanthrene 3,4-dihydroxyphenanthrene phenanthrene-3,4-diol
envipath:...f31f9d1df821 envipathM:...f31f9d1df821 RLZZZVKAURTHCP-UHFFFAOYSA-N	compound 0041446
metacyc.compound:PHENANTHRENE-34-DIOL metacycM:PHENANTHRENE-34-DIOL RLZZZVKAURTHCP-UHFFFAOYSA-N	phenanthrene-3,4-diol 3,4-dihydroxyphenanthrene
chebi:14776 chebi:19887 chebi:25954 chebi:8053 keggC:M_C03164 seedM:M_cpd02022	secondary/obsolete/fantasy identifier