| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:08 UTC |
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| Update Date | 2025-03-25 00:49:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176519 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | O=C(O)CCCC1OCc2ccccc21 |
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| InChI Key | PBUNZVFBWGGFEJ-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 | benzenoidscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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