| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:32 UTC |
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| Update Date | 2025-03-25 00:48:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168259 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O9 |
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| Molecular Mass | 308.1107 |
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| SMILES | CC(CCC(=O)O)COC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | OJTJNAQUNRKBIY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | saccharolipids |
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| Subclass | saccharolipids |
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| Direct Parent | saccharolipids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidglucuronic acid or derivativesheterocyclic fatty acido-glucuronidemonosaccharidefatty acidcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesmethyl-branched fatty acidhydroxy acidbranched fatty acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativesaccharolipidorganooxygen compound |
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