| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:14 UTC |
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| Update Date | 2025-03-25 00:51:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190438 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO3 |
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| Molecular Mass | 169.0739 |
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| SMILES | CC(=O)C1=C(C)NCC1C(=O)O |
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| InChI Key | JBCSGYYDRVKKPL-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 | pyrroline carboxylic acids and derivatives |
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| Direct Parent | pyrroline carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsdialkylaminesgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidesecondary aliphatic amineazacyclesecondary aminegamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrroline carboxylic acidketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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