| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:41 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219128 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | COc1ccc2c(c1)OCC(C(C)=O)N2 |
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| InChI Key | MYXPPSYDNOCUCG-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 | benzoxazines |
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| Subclass | benzoxazines |
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| Direct Parent | benzoxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsbenzomorpholineshydrocarbon derivativesketonesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
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| Substituents | phenol ethercarbonyl groupetheralkyl aryl etherbenzomorpholineketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacyclebenzoxazinesecondary amineoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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