| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:32 UTC |
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| Update Date | 2025-03-25 00:58:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24O6 |
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| Molecular Mass | 324.1573 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1c(CO)cccc1C(=O)O |
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| InChI Key | LSBLNYBAQZTWFI-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaromatic alcoholsbenzoic acidsbenzoyl derivativesbenzyl alcoholscarboxylic acid estersdicarboxylic acids and derivativesfatty alcoholshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholfatty acylcarboxylic acidbenzoylbenzoate esterbenzyl alcoholcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundfatty alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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