| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:22 UTC |
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| Update Date | 2025-03-25 00:47:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161004 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO4 |
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| Molecular Mass | 283.0845 |
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| SMILES | NC1=C(C(=O)O)C(c2ccc(O)cc2)c2ccccc2O1 |
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| InChI Key | FRAXVTXHALKKKT-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 | neoflavonoids |
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| Subclass | neoflavonoids |
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| Direct Parent | neoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsvinylogous amidesvinylogous esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundneoflavonoid skeletonorganoheterocyclic compoundvinylogous amidebenzopyranvinylogous esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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