| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:52 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219537 |
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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(C(=O)OCCCCC(=O)O)cc1 |
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| InChI Key | VANVMHKCRDXXLB-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 | p-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidbenzoylbenzoate esteralkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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