| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:12 UTC |
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| Update Date | 2025-03-21 18:05:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055528 |
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| Frequency | 57.6 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | CC(=O)NCCC(=O)c1ccco1 |
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| InChI Key | CTGRRPRTLGODBO-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 | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesaryl alkyl ketonescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupfuroic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeketoneoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundaryl ketone |
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