| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:02 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237923 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | O=C(O)CC(O)c1ccc(N2CCOCC2)cc1 |
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| InChI Key | AUASYFWFXAVHMP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | oxazinanes |
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| Subclass | morpholines |
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| Direct Parent | phenylmorpholines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaniline and substituted anilinesaromatic alcoholsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary aminealcoholphenylmorpholineazacycleaniline or substituted anilineshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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