| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:36 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163814 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23NO3 |
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| Molecular Mass | 301.1678 |
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| SMILES | CC1(C)Cc2cc(C#N)ccc2C(CCCCC(=O)O)C1O |
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| InChI Key | XCRSUDIIQZISEC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | amino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acyltetralincarbocyclic fatty acidcarbonyl groupnitrilecarboxylic acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidcarbonitrilealcoholaromatic homopolycyclic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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