| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:42 UTC |
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| Update Date | 2025-03-25 00:49:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175510 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O13 |
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| Molecular Mass | 372.0904 |
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| SMILES | O=C(O)C(O)C(OC1OC(C(=O)O)C(O)C(O)C(O)C1O)C(O)CO |
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| InChI Key | YIGDEEPKWUZLPV-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 | acetalsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundhydroxy fatty acidprimary alcoholalcoholhydroxy acidoxepaneoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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