| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:52 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO |
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| Molecular Mass | 175.0997 |
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| SMILES | c1ccc2c(c1)OC1CNCCC21 |
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| InChI Key | KVHRAUCTFAPKRA-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundspiperidines |
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| Substituents | secondary aliphatic amineetherazacyclealkyl aryl ethersecondary amineoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpiperidinecoumaranorganooxygen compoundamine |
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