| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:41 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H8O6 |
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| Molecular Mass | 260.0321 |
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| SMILES | O=C(O)C(=O)CC(=O)c1cc2ccccc2oc1=O |
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| InChI Key | BMJDIQHNTATKGO-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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzenoidscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketone1-benzopyranalpha-hydroxy ketonecarboxylic acid derivativeketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranonealpha-keto acidorganoheterocyclic compoundbenzopyranheteroaromatic compoundcoumaringamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranketo acidhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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