| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:17 UTC |
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| Update Date | 2025-03-25 00:45:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO3 |
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| Molecular Mass | 249.1365 |
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| SMILES | O=C(O)C(Cc1ccccc1)C(O)C1CCCN1 |
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| InChI Key | HPDCAZNZQNELNI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidinessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacyclehydroxy acidsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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