| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:01:37 UTC |
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| Update Date | 2025-03-25 00:32:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02065714 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H5NO2 |
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| Molecular Mass | 123.032 |
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| SMILES | O=C1OCc2c[nH]cc21 |
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| InChI Key | CXYROVAVELJDLO-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolesvinylogous amides |
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| Substituents | vinylogous amideazacycleheteroaromatic compoundcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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