| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:56 UTC |
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| Update Date | 2025-03-25 01:01:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13O5+ |
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| Molecular Mass | 249.0758 |
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| SMILES | Oc1cc(O)c2cc3c([o+]c2c1)CC(O)C(O)C3 |
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| InChI Key | PAFFERYMANDJDF-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 | xanthenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic cationsoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidxantheneoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic cationorganooxygen compound1,2-diol |
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