| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:05 UTC |
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| Update Date | 2025-03-25 00:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235814 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO4 |
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| Molecular Mass | 253.1314 |
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| SMILES | COc1cc2c(cc1O)CCC(C(O)C(C)O)N2 |
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| InChI Key | ZWMHUAHVRPEOAK-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 | quinolines and derivatives |
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| Subclass | hydroquinolines |
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| Direct Parent | hydroquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundshydrocarbon derivativesorganopnictogen compoundssecondary alcoholssecondary alkylarylamines |
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| Substituents | alcoholphenol etheretherazacycle1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethersecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtetrahydroquinolineamineorganooxygen compound1,2-diol |
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