| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:58 UTC |
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| Update Date | 2025-03-25 01:01:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O11 |
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| Molecular Mass | 338.0849 |
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| SMILES | O=CC(O)C(OC1CC(O)(C(=O)O)CC(O)C1O)C(O)C(=O)O |
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| InChI Key | CXHLHYAXKQEHFU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | tannins |
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| Subclass | hydrolyzable tannins |
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| Direct Parent | hydrolyzable tannins |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxyaldehydescarbocyclic fatty acidscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesquinic acids and derivativesshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupethercarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativedialkyl ethersaccharideorganic oxidealpha-hydroxyaldehydehydroxy fatty acidhydrolyzable tanninalcoholcyclohexanolaldehydecyclitol or derivativeshydroxy acidcyclic alcoholtertiary alcoholorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundquinic acid |
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