| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:52 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200990 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17N3O7 |
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| Molecular Mass | 375.1066 |
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| SMILES | COc1cc(C(=O)NN=CC=C2C=C(C(=O)O)NC(C(=O)O)C2)ccc1O |
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| InChI Key | DNQTUKDUEGFILY-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundsbenzoic acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundstetrahydropyridines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycletetrahydropyridinebenzoic acid or derivativessecondary aminemethoxybenzeneorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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