| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:52 UTC |
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| Update Date | 2025-03-25 00:46:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO2 |
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| Molecular Mass | 227.0946 |
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| SMILES | Cc1ccc2c(c1)OC(c1cccnc1)CO2 |
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| InChI Key | YTFGKQOULRAQCK-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 | benzodioxanes |
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| Subclass | benzo-1,4-dioxanes |
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| Direct Parent | benzo-1,4-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspara dioxins |
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| Substituents | benzo-1,4-dioxaneetherazacycleheteroaromatic compoundmethylpyridinealkyl aryl etheroxacyclepyridineorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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