| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:08 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181123 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26O12 |
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| Molecular Mass | 446.1424 |
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| SMILES | O=C(O)CC(CCC(O)Cc1ccc(O)c(O)c1)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YPTXTNPEHWFBJK-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundheterocyclic fatty acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidefatty acidcarboxylic acid derivativepyran carboxylic acidmedium-chain hydroxy acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidsaccharolipidorganooxygen compound |
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