| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:07 UTC |
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| Update Date | 2025-03-25 00:58:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231273 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O3 |
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| Molecular Mass | 210.1004 |
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| SMILES | CCCOC(=O)c1c(O)ccc(N)c1N |
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| InChI Key | GACWRIDLECXFKX-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessalicylic acid and derivativesvinylogous acidsvinylogous amides |
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| Substituents | amino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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