| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:59 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162392 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24O10 |
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| Molecular Mass | 400.1369 |
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| SMILES | O=C(O)CCC(Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | AHESALBNFXESOK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativemedium-chain hydroxy aciddialkyl etherorganic oxidemedium-chain fatty acidhydroxy fatty acidcyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundtertiary alcoholsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
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