| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:08 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224728 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O7 |
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| Molecular Mass | 314.1114 |
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| SMILES | Nc1ccc(NC2OC(CO)C(O)C(O)C2O)cc1C(=O)O |
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| InChI Key | SWSPSLCLZKETPW-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminesprimary alcoholsprimary aminessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidoxaneprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidesecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenylalkylaminehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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