| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:10 UTC |
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| Update Date | 2025-03-25 01:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245190 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | CN(C)Cc1cccc(C(O)CC(=O)O)c1 |
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| InChI Key | IYVLVJLKMGUXTO-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 homomonocyclic compounds |
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| Alternative Parents | amino acidsaralkylaminesaromatic alcoholsbenzylaminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylmethylaminessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidcarboxylic acid derivativearalkylaminebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholtertiary aliphatic aminehydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylaminesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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