| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:33 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | O=C(O)CC1Oc2ccccc2C1CC(=O)O |
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| InChI Key | XRDNTCVOEDIKOR-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 ethersbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidcoumaranorganooxygen compound |
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