| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:20 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163195 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | O=C(O)C1(Cc2cccc(O)c2)CCNC1 |
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| InChI Key | NBHGRXHPBRHKNT-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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