| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:02 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153589 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO5 |
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| Molecular Mass | 317.1263 |
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| SMILES | COc1ccc(CC2c3c(O)cc(O)cc3OCN2C)cc1O |
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| InChI Key | PXVLSCQCSRSOLH-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetherazacycle1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzoxazine1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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