| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:24 UTC |
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| Update Date | 2025-03-25 01:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO |
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| Molecular Mass | 125.0841 |
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| SMILES | CC(C)(O)c1cc[nH]c1 |
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| InChI Key | SBAGIYUWDBIQQR-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 heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspyrrolestertiary alcohols |
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| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtertiary alcoholorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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