| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:03 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180904 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO3 |
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| Molecular Mass | 243.0895 |
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| SMILES | O=C(O)CC=CC(=O)Cc1c[nH]c2ccccc12 |
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| InChI Key | HSGPPVWWTQLDRW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acryloyl compoundsamino fatty acidsazacyclic compoundsbenzenoidscarboxylic acidsenonesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesketonesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolealpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidenoneazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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