DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:57 UTC
Update Date	2025-03-25 00:59:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235536
Frequency	0.5
Structure
Chemical Formula	C₉H₁₀NO₄+
Molecular Mass	196.0604
SMILES	COc1ccc(C=C[N+](=O)O)c(O)c1
InChI Key	KGPUAZFHISZGPH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenols
Subclass	methoxyphenols
Direct Parent	methoxyphenols
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers anisoles c-nitro compounds hydrocarbon derivatives methoxybenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenoxy compounds propargyl-type 1,3-dipolar organic compounds
Substituents	phenol ether monocyclic benzene moiety ether allyl-type 1,3-dipolar organic compound methoxyphenol 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid methoxybenzene aromatic homomonocyclic compound organic oxygen compound anisole hydrocarbon derivative organic nitrogen compound phenoxy compound organooxygen compound organic hyponitrite

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