| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:52 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171267 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | COc1cc(C2CCCC(=O)O2)cc(OC)c1O |
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| InChI Key | JXBCUYZWGJIDNK-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 | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersdelta valerolactonesdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddelta valerolactonemethoxyphenolalkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzeneorganic oxideoxanedelta_valerolactoneorganoheterocyclic compoundmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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