| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:18 UTC |
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| Update Date | 2025-03-25 00:52:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O8 |
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| Molecular Mass | 250.0689 |
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| SMILES | CCC(=O)OC(C(=O)O)C(O)C(O)C(=O)CO |
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| InChI Key | YDCCPFISXNCXNQ-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidefatty acidalpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketonebeta-hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholorganic oxygen compoundacyloincarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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