| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181842 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12NO4+ |
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| Molecular Mass | 222.0761 |
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| SMILES | OCC(O)C(O)c1cnc2ccccc2[o+]1 |
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| InChI Key | GDCDUQVDLNQERF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcoholazacycleheteroaromatic compoundoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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