| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:40 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184554 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16N2O3 |
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| Molecular Mass | 284.1161 |
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| SMILES | NC(CCc1c[nH]c2cc3c(O)cccc3cc12)C(=O)O |
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| InChI Key | AKWQAHPQYJXDDL-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 | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivatives1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivative1-naphtholprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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