| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:31 UTC |
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| Update Date | 2025-03-25 00:52:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O9 |
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| Molecular Mass | 342.0951 |
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| SMILES | CC1OC(OCOC(=O)c2ccccc2C(=O)O)C(O)C(O)C1O |
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| InChI Key | DCQNRNQZKXRGDZ-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 heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetalsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharidebenzoate estercarboxylic acid derivativesaccharideorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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