| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:01 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | COc1ccc(CCC(O)=CC(=O)O)cc1OC |
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| InChI Key | WGYNMDARXZLVQE-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 | benzene and substituted derivatives |
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| Subclass | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsunsaturated fatty acidsvinylogous acids |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethercarbonyl groupethercarboxylic acidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy aciddimethoxybenzeneunsaturated fatty acidorganic oxideo-dimethoxybenzenemedium-chain fatty acidhydroxy fatty acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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