| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:43 UTC |
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| Update Date | 2025-03-25 00:49:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175522 |
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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)C(Cc1ccccc1)Oc1cccnc1 |
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| InChI Key | KXXWTMARDKYBLS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundazacycle3-phenylpropanoic-acidheteroaromatic compoundhydroxypyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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