| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:59 UTC |
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| Update Date | 2025-03-21 17:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017525 |
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| Frequency | 240.3 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | NCC(O)c1ccco1 |
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| InChI Key | JWQAFPHYLSGNSK-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 | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholfuranaromatic heteromonocyclic compoundheteroaromatic compoundoxacycleorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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