| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:15 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172151 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | CN1CC(O)CC1C(O)c1cccc(O)c1 |
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| InChI Key | AKBCIVWGTHLTHL-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 | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidine1,2-aminoalcoholtertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineaminetertiary amineorganoheterocyclic compoundorganooxygen compound |
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