| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:48 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203055 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | O=C(c1ccco1)C1CCC(O)=N1 |
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| InChI Key | UCXROOVQIPAEKH-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundscyclic carboximidic acidsfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | furanfuroic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundazacyclepyrroline carboxylic acid or derivativesheteroaromatic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundaryl ketone |
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