| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:30 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221011 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | O=C(O)c1ccc(N2C=CCC2)cc1 |
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| InChI Key | IOCBYAMVOBRLDF-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 | pyrrolines |
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| Subclass | phenylpyrrolines |
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| Direct Parent | phenylpyrrolines |
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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 derivativescarboxylic acidsenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolestertiary alkylarylamines |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundbenzoic acidaminobenzoic acid or derivativestertiary amineazacycleaniline or substituted anilinesbenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compound1-phenylpyrrolineamineorganooxygen compoundenamine |
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