| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:21 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206615 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O4 |
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| Molecular Mass | 194.0579 |
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| SMILES | O=C(O)C1(CO)OCc2ccccc21 |
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| InChI Key | QHMGPOAUPFINOS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alcohols and polyolsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidhydroxy acidcarboxylic acid derivativedialkyl etheroxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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