| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:10 UTC |
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| Update Date | 2025-03-25 00:54:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO3+ |
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| Molecular Mass | 210.1125 |
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| SMILES | OCC1(O)CC([n+]2ccccc2)CC1O |
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| InChI Key | XTCQTENVOYKEAV-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 | pyridines and derivatives |
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| Subclass | hydroxypyridines |
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| Direct Parent | hydroxypyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic alcohols and derivativescyclopentanolsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecyclic alcoholcyclopentanoltertiary alcoholorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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