| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:08 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160482 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H27NO12 |
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| Molecular Mass | 461.1533 |
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| SMILES | Nc1ccc(C(=O)OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2O)cc1 |
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| InChI Key | TYIVETILWOLISZ-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsamino acids and derivativesbenzoyl derivativescarboxylic acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary aminessecondary alcohols |
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| Substituents | aromatic heteromonocyclic compoundamino acid or derivativesbenzoylmonosaccharidebenzoate estercarboxylic acid derivativesaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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