| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:59 UTC |
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| Update Date | 2025-03-21 18:06:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064494 |
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| Frequency | 47.7 |
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| Structure | |
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| Chemical Formula | C19H27NO5 |
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| Molecular Mass | 349.1889 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCCC2C(=O)O)cc1 |
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| InChI Key | WIZHJEUGKDXMGK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenylbutylaminesphenylpropanespyrrolidine carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidphenylpropaneorganic oxidephenylbutylaminepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-alkylpyrrolidinetertiary aliphatic aminepyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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