| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:33 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207048 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O9 |
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| Molecular Mass | 264.0481 |
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| SMILES | O=C(O)C1=C(C(O)C(O)CO)OC(O)(C(=O)O)C1 |
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| InChI Key | HMOFHTRCABMKIF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdihydrofuranshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous esters |
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| Substituents | alcoholcarbonyl groupcarboxylic acidvinylogous esteralpha-hydroxy acidhydroxy acidoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshemiacetalhydrocarbon derivativeprimary alcoholorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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