| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:27 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234331 |
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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 | Cc1cc(C(=O)O)cc2c1OCC2(C)C |
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| InChI Key | PTDNYMAEYKBWFM-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | ethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidcoumaranorganooxygen compound |
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