| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:48 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178103 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N2O2 |
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| Molecular Mass | 242.1055 |
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| SMILES | COC(=O)c1ccc(NCc2cccnc2)cc1 |
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| InChI Key | RHSILZUEFDYKDN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | aromatic heteromonocyclic compoundamino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundmethylpyridinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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