| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:05 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176410 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO4 |
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| Molecular Mass | 211.0845 |
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| SMILES | NCC1(O)Oc2cc(O)ccc2CC1O |
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| InChI Key | AGCOSVLDAMAWTB-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzenoidshemiacetalshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | alcohol1-benzopyran1-hydroxy-2-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhemiacetalhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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