| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:18 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22O9 |
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| Molecular Mass | 334.1264 |
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| SMILES | O=C(O)CCCCCCC(=O)OC1OC(C(=O)O)CC(O)C1O |
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| InChI Key | BTMXBGUVMRUULC-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalscarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholfatty acylcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativestricarboxylic acid or derivativescarboxylic acid derivativeoxacyclefatty acid esterorganic oxideorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneorganooxygen compound1,2-diol |
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