| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:52 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198651 |
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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 | COc1cc(CCC(=O)OC2C(O)CC(O)(C(=O)O)CC(O)C2O)ccc1O |
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| InChI Key | ZBXRANMUHWJEHU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssecondary alcoholstertiary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidealcoholhydroxy acidcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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