| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:58 UTC |
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| Update Date | 2025-03-21 18:05:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057332 |
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| Frequency | 55.4 |
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| Structure | |
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| Chemical Formula | C17H21NO8 |
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| Molecular Mass | 367.1267 |
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| SMILES | COc1cc(C=CC(=O)NC2C(O)CC(O)(C(=O)O)CC2O)ccc1O |
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| InChI Key | GRPYRVFGBNRZRV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundcyclohexanolhydroxy acidcarboxamide groupmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundquinic acid |
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