| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:24 UTC |
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| Update Date | 2025-03-25 00:51:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188533 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N2O3 |
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| Molecular Mass | 266.163 |
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| SMILES | CC(CO)c1ccc(C(O)CCCN(C)N=O)cc1 |
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| InChI Key | FHECDOQCWFQGDI-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 | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaromatic monoterpenoidshydrocarbon derivativesmonocyclic monoterpenoidsorganic n-nitroso compoundsorganic oxidesorganopnictogen compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonoterpenoidorganic nitroso compoundmonocyclic monoterpenoidp-cymenearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compoundaromatic monoterpenoid |
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