| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:54 UTC |
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| Update Date | 2025-03-25 00:59:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239859 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12NO4+ |
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| Molecular Mass | 222.0761 |
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| SMILES | NCCc1cc(O)c2c(O)cc(O)cc2[o+]1 |
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| InChI Key | KPBZUMUVPYGSGM-UHFFFAOYSA-O |
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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 benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | 1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganic cationorganooxygen compound |
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