| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:06 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | COc1cccc2c1OCC2CC(=O)O |
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| InChI Key | YBXAMIJYESDTBM-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 ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundanisolehydrocarbon derivativebenzenoidcoumaranorganooxygen compound |
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