| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:43 UTC |
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| Update Date | 2025-03-25 00:58:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | CCC1N=C(O)c2ccccc2C1=O |
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| InChI Key | FAAGAOIKXFIIQE-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 | isoquinolines and derivatives |
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| Subclass | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsbenzenoidscyclic carboximidic acidsdihydroisoquinolineshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | dihydroisoquinolinearyl alkyl ketoneazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundaryl ketone |
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