| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:20 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H29NO6 |
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| Molecular Mass | 379.1995 |
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| SMILES | CC(C)Cc1ccc(C(C)C(=O)OC2C(C(=O)O)CC(O)C(N)C2O)cc1 |
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| InChI Key | WVUGPPFTWYIKCU-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanes |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenephenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesalcoholcyclohexanolcyclitol or derivativescyclic alcoholaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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