| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:46 UTC |
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| Update Date | 2025-03-25 00:45:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150598 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO4 |
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| Molecular Mass | 299.1158 |
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| SMILES | OCC1OC(c2c[nH]c3ccc4ccccc4c23)C(O)C1O |
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| InChI Key | JDNJJXSCGZSPSO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | etherindolemonosaccharidedialkyl ethersaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundindole or derivativesoxacyclenaphthaleneorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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