| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:55 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O5 |
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| Molecular Mass | 332.1372 |
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| SMILES | COc1ccc2[nH]cc(CC(C(=O)O)N3CCCC3C(=O)O)c2c1 |
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| InChI Key | AQHUWHCAJFBPBB-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolespyrrolidine carboxylic acidstrialkylamines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acidindolealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidineheteroaromatic compoundtertiary aliphatic amineindole or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundanisolepyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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