| 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 | DMID02201001 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20N2O8 |
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| Molecular Mass | 404.122 |
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| SMILES | COc1cc(CC(C=C2C=C(C(=O)O)NC(C(=O)O)C2)=NCC(=O)O)ccc1O |
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| InChI Key | OKEIWNOHQSKQAR-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 compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminestetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | phenol etherketiminemonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidimine1-hydroxy-2-unsubstituted benzenoidmethoxyphenoltricarboxylic acid or derivativesalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary aminemethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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