| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:04 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O10 |
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| Molecular Mass | 384.1056 |
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| SMILES | O=C(O)CCCC(=O)c1ccccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | VIVKVNXCUBLTEM-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneglucuronic acid or derivativesaromatic heteromonocyclic compoundheterocyclic fatty acidbenzoylo-glucuronidemonosaccharidefatty acidcarboxylic acid derivativepyran carboxylic acidmedium-chain hydroxy acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidphenylketonebutyrophenoneoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundsaccharolipidalkyl-phenylketoneorganooxygen compoundaryl ketone |
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