Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:28 UTC |
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Update Date | 2025-03-25 00:50:35 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181875 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C17H22O9 |
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Molecular Mass | 370.1264 |
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SMILES | O=C(O)C(CCc1ccc(O)cc1)OC1CC(O)(C(=O)O)CC(O)C1O |
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InChI Key | DVTHKKYSSWYRLY-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 benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etherorganic oxidecyclohexanolhydroxy acidaromatic homomonocyclic compoundtertiary alcoholsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
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