| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:28 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227630 |
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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 | CC(=O)NC(CC(=O)O)CC(=O)c1c[nH]c2ccccc12 |
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| InChI Key | YCSUKVCPLVCVOY-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesamino fatty acidsaryl alkyl ketonesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaryl alkyl ketoneheterocyclic fatty acidindolefatty acidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundacetamidevinylogous amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupamino fatty acidbeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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