| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:49 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248960 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16N2O4 |
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| Molecular Mass | 288.111 |
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| SMILES | COc1ccc2[nH]cc(CC3CC(C(=O)O)N=C3O)c2c1 |
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| InChI Key | XOCBBHSTSRQJPB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrroline 2-carboxylic acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidindolealkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclepyrroline carboxylic acid or derivativesheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundpyrroline 2-carboxylic acidmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrroline carboxylic acidanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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