| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:20 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154307 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O6 |
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| Molecular Mass | 322.1416 |
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| SMILES | COc1cc(C=CC(O)C2CCC(O)(C(=O)O)CC2)ccc1O |
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| InChI Key | RTFMTFZWCISTSV-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 acidscinnamyl alcoholscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcinnamyl alcoholalkyl aryl ethercarboxylic acid derivativeorganic oxidealcoholcyclohexanolhydroxy acidcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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