| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:42 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159544 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO3 |
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| Molecular Mass | 285.1365 |
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| SMILES | O=Cc1ccc(-c2ccccc2)n1CCCCCC(=O)O |
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| InChI Key | YPAVXOSTRURTMQ-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 | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsaryl-aldehydesazacyclic compoundsbenzene and substituted derivativescarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidsubstituted pyrrolecarboxylic acid derivativeorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleheteroaromatic compoundaldehydeamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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