| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:26 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223172 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O4 |
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| Molecular Mass | 250.0954 |
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| SMILES | NC1CN(c2ccc(C(=O)O)cc2)CC1C(=O)O |
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| InChI Key | GXPWWFTWBMTLAW-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 | pyrrolidines |
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| Subclass | phenylpyrrolidines |
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| Direct Parent | phenylpyrrolidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaminobenzoic acids and derivativesaniline and substituted anilinesazacyclic compoundsbenzoic acidsbenzoyl derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrrolespyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic aminepyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compoundbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary amineazacycleaniline or substituted anilinesbenzoic acid or derivativesbeta amino acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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