| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:41 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202797 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O7 |
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| Molecular Mass | 294.074 |
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| SMILES | O=C(O)COc1ccc(CC2CCC(=O)O2)cc1C(=O)O |
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| InChI Key | LATHZFQYYKTJDD-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundbenzoyltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundtetrahydrofuranbenzoic acid or derivativesgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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