| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:00 UTC |
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| Update Date | 2025-03-21 18:00:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026687 |
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| Frequency | 143.0 |
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| Structure | |
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| Chemical Formula | C23H31NO5 |
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| Molecular Mass | 401.2202 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1c(C)c(CCC(=O)O)c(C)c(CCC(=O)O)c1C |
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| InChI Key | YSLZWVZOYCKKAL-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycle3-phenylpropanoic-acidcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolineorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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