| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:55 UTC |
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| Update Date | 2025-03-21 18:05:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059578 |
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| Frequency | 52.7 |
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| Structure | |
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| Chemical Formula | C9H8O3 |
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| Molecular Mass | 164.0473 |
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| SMILES | O=C(O)c1ccc2c(c1)CCO2 |
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| InChI Key | YXYOLVAXVPOIMA-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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