| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:56 UTC |
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| Update Date | 2025-03-21 18:03:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045618 |
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| Frequency | 73.7 |
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| Structure | |
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| Chemical Formula | C19H21N3O |
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| Molecular Mass | 307.1685 |
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| SMILES | CN(C)CCCC1(c2cccnc2)OCc2cc(C#N)ccc21 |
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| InChI Key | HUODJYZFKYSAAS-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 | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnitrilesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | ethernitrileazacycleheteroaromatic compoundtertiary aliphatic aminemethylpyridinedialkyl etheroxacycleisocoumaranpyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminecarbonitriletertiary amineorganooxygen compound |
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