| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:41 UTC |
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| Update Date | 2025-03-25 00:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O6 |
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| Molecular Mass | 290.079 |
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| SMILES | O=C(O)CCC(Oc1ccc2cc(O)ccc2c1)C(=O)O |
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| InChI Key | XQQHCCASWLKITE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxyacetic acid derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivative2-naphtholorganooxygen compound |
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