| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:19 UTC |
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| Update Date | 2025-03-25 00:56:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215903 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H31NO4 |
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| Molecular Mass | 385.2253 |
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| SMILES | CCC=CCC1=C(C)C(Cc2c(C)c(CCC(=O)O)c(C)c(C)c2O)NC1=O |
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| InChI Key | HBKHYDAOESPKQW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolsphenolspyrrolinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidcarboxylic acid derivativeorganic oxideo-cresolorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundm-cresolazacyclecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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