| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:21 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16N4O5 |
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| Molecular Mass | 332.1121 |
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| SMILES | COc1cc(C=CC(=O)Nc2c(N)[nH]c(=O)n(C)c2=O)ccc1O |
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| InChI Key | JCBWQRRUNNDVAR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acids and derivativesanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsn-arylamidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminespyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compoundamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidmethoxyphenolpyrimidonen-arylamidealkyl aryl ethercarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupmethoxybenzenehydroxycinnamic acidsecondary carboxylic acid amideorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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