| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:05 UTC |
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| Update Date | 2025-03-25 00:54:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208327 |
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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 | CC(C)CCOc1ccc(C(=O)O)cc1C(=O)O |
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| InChI Key | IRYGRQTXCVCDKR-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 | benzoic acids and derivatives |
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| Direct Parent | m-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativesmeta_phthalic_acidhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
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