| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:22 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206645 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18O12 |
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| Molecular Mass | 342.0798 |
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| SMILES | O=C(O)C(O)C(OC1C(O)OC(C(=O)O)C(O)C1O)C(O)CO |
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| InChI Key | IXSPUWMDARVOHD-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 | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidshort-chain hydroxy acidglucuronic acid or derivativesheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundhemiacetalhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativesaccharolipidorganooxygen compound |
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