| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:01 UTC |
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| Update Date | 2025-03-25 00:57:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H29NO9 |
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| Molecular Mass | 403.1842 |
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| SMILES | OCC1OC(O)(CNCCCCC(O)Cc2cc(O)c(O)c(O)c2)C(O)C1O |
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| InChI Key | VJBXOTZBAMZDCO-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 | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkylamineshemiacetalshydrocarbon derivativesmonosaccharidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideorganonitrogen compoundorganopnictogen compoundhemiacetalprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminepyrogallol derivativetetrahydrofuran1-hydroxy-4-unsubstituted benzenoidsecondary amineoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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