| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:19 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163156 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20O11 |
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| Molecular Mass | 328.1006 |
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| SMILES | O=C(O)C(OC1C(O)C(CO)OC(O)C(O)C1O)C(O)CO |
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| InChI Key | CNWPPMBIEWIZHO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundhemiacetalhydroxy fatty acidprimary alcoholalcoholhydroxy acidoxepaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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