| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:48 UTC |
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| Update Date | 2025-03-21 18:06:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064062 |
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| Frequency | 48.1 |
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| Structure | |
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| Chemical Formula | C15H21NO4 |
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| Molecular Mass | 279.1471 |
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| SMILES | OCC1(O)CN2CCC1CC2C(O)c1ccc(O)cc1 |
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| InChI Key | RHXLVCWDXMEYAW-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 | quinuclidines |
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| Subclass | quinuclidines |
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| Direct Parent | quinuclidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,3-aminoalcohols1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesorganopnictogen compoundspiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietyquinuclidine1-hydroxy-2-unsubstituted benzenoidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary aminealcohol1,3-aminoalcoholazacycle1,2-aminoalcoholtertiary aliphatic aminetertiary alcoholorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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