| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:56 UTC |
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| Update Date | 2025-03-25 00:47:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164552 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O5 |
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| Molecular Mass | 234.0528 |
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| SMILES | CC(Oc1cccc2ccc(=O)oc12)C(=O)O |
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| InChI Key | KRLNLARQFCHEJI-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-benzopyransalkyl aryl etherscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxyacetic acid derivativespyranones and derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupetherbenzopyrancarboxylic acid1-benzopyranheteroaromatic compoundalkyl aryl ethercarboxylic acid derivativecoumarinlactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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