| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:52 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219550 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO9 |
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| Molecular Mass | 395.1216 |
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| SMILES | COc1cc2ccc(C(=O)O)c(NC3OC(CO)C(O)C(O)C3O)c2cc1O |
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| InChI Key | KOQOETIIPPPBDE-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 | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acidsanisoleshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthols and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | phenol etherethercarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundoxaneprimary alcohol2-naphtholorganoheterocyclic compoundalcoholvinylogous amidesecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compound2-naphthalenecarboxylic acidorganooxygen compoundamine |
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