| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:58 UTC |
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| Update Date | 2025-03-25 00:53:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198857 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O4 |
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| Molecular Mass | 290.1267 |
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| SMILES | NC(CCCCNC1C(=O)c2ccccc2C1=O)C(=O)O |
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| InChI Key | OVFWMZAWMDXHEL-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 | indanes |
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| Subclass | indanones |
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| Direct Parent | indanediones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsaryl alkyl ketonesbeta-diketonescarbocyclic fatty acidscarboxylic acidsdialkylamineshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic amineindanedionearomatic homopolycyclic compoundsecondary amineamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compound1,3-diketoneorganooxygen compoundaminearyl ketone |
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