| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:55 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180612 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H32N2O7 |
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| Molecular Mass | 484.221 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)O2 |
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| InChI Key | KIIYVTVFLPHEIL-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersalpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyranamino acidbenzoylalkyl aryl etherbenzamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesbenzopyrann-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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