| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:47 UTC |
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| Update Date | 2025-03-21 18:41:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133575 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C18H18O5 |
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| Molecular Mass | 314.1154 |
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| SMILES | COc1cc(CC2OC(=O)C2Cc2cccc(O)c2)ccc1O |
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| InChI Key | SYABDTPHLVLPLG-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbeta propiolactonescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzenebeta_propiolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteroxetanehydrocarbon derivativephenoxy compoundorganooxygen compound |
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