| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:03 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201382 |
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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 | COc1cc(CCC(=O)OC2CC(C(=O)O)C(O)C(O)C2O)ccc1O |
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| InChI Key | NZQFDHICEQCXEN-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 ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidealcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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