| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:11 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162854 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O7 |
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| Molecular Mass | 360.1209 |
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| SMILES | O=C(Cc1cccc2ccccc12)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | XVWXZIHPMVYELS-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 homopolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesnaphthalenesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolaromatic homopolycyclic compoundhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidenaphthalenecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidquinic acid |
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