| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:19 UTC |
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| Update Date | 2025-03-25 00:52:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195056 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O |
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| Molecular Mass | 178.1106 |
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| SMILES | CCCNc1ccc(C(N)=O)cc1 |
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| InChI Key | QRWWZYMGIWFXEJ-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 | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary carboxylic acid amidessecondary alkylarylamines |
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| Substituents | primary carboxylic acid amideamino acid or derivativesbenzoylsecondary aminecarboxamide groupcarboxylic acid derivativebenzamidesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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