| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:12 UTC |
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| Update Date | 2025-03-25 01:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254336 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C37H46N2O7 |
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| Molecular Mass | 630.3305 |
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| SMILES | CC(C)(C(=O)NC(CCC(=O)O)C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 |
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| InChI Key | NYRVAUAWNCQHRN-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 | glutamic acid 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 derivativesdiphenylmethaneshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylacetamidesphenylbutylaminesphenylpropanespiperidinessecondary alcoholssecondary carboxylic acid amidestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidphenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinephenylacetamidetertiary amineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholazacyclen-acyl-alpha-amino acidtertiary aliphatic amineglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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