| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:37 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253075 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O6 |
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| Molecular Mass | 266.079 |
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| SMILES | O=C(Cc1ccccc1)OCC1OC(=O)C(O)C1O |
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| InChI Key | MUJNOHDJNUYUGZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacyclesaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound1,2-diol |
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