| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:48 UTC |
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| Update Date | 2025-03-21 18:29:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078511 |
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| Frequency | 37.3 |
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| Structure | |
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| Chemical Formula | C15H15NO4 |
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| Molecular Mass | 273.1001 |
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| SMILES | COc1cc(CNc2ccc(C(=O)O)cc2)ccc1O |
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| InChI Key | XWTWPLLMKYLDIH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acidsanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidbenzoic acid or derivativessecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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