| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:49 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200870 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO7 |
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| Molecular Mass | 339.1318 |
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| SMILES | COc1ccc2[nH]c(C3OC(CO)C(O)C(O)C3O)c(CO)c2c1 |
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| InChI Key | ZAKINITYWVFXMC-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indole-3-carbinol and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholphenol etherethermonosaccharidealkyl aryl etherdialkyl ethersaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholalcoholazacycleheteroaromatic compoundoxacycleorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidindole-3-carbinol or derivativesorganic nitrogen compoundorganooxygen compound |
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