| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:24 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | COc1ccc2c(c1)OC(C)=C(C(C)=O)N2 |
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| InChI Key | BOWVMGNBSDSPEA-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 compoundshydrocarbon derivativesketonesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alkylarylaminesvinylogous esters |
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| Substituents | phenol ethercarbonyl groupetherazacyclevinylogous esterbenzoxazinealkyl aryl ethersecondary aminesecondary aliphatic/aromatic amineketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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