| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:07 UTC |
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| Update Date | 2025-03-21 18:39:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127329 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C17H25NO5 |
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| Molecular Mass | 323.1733 |
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| SMILES | CC1C(Oc2ccc(CCN)cc2O)OC(C(=O)O)C(C)C1C |
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| InChI Key | UVJJMDSXLNUJBA-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanepyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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