| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:08 UTC |
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| Update Date | 2025-03-25 01:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254192 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | CC(CC(N)=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | ZWQXTJHALFBULR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidfatty amidebenzoylp-cymenecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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