| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:06 UTC |
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| Update Date | 2025-03-25 00:53:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199192 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO4 |
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| Molecular Mass | 301.1314 |
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| SMILES | COc1ccc2c(c1)OCC(Cc1ccc(O)c(OC)c1)N2 |
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| InChI Key | SEFVMGDDHVYBNZ-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsbenzomorpholineshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherbenzomorpholinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacyclebenzoxazinesecondary aminemethoxybenzeneoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholineorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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