| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:09 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151464 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H19NO3 |
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| Molecular Mass | 321.1365 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCCC(=O)O)c1ccccc1 |
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| InChI Key | OGFJGNYSLOYZBU-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino fatty acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyl ethersheterocyclic fatty acidshydrocarbon derivativesisocoumaransmedium-chain fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy aciddialkyl etherorganic oxideisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidcarbonitrileorganoheterocyclic compoundamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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