| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:08 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178838 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O7 |
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| Molecular Mass | 268.0583 |
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| SMILES | Oc1ccc2c3c1OC1OC3C(O)C(O)C(O)C1O2 |
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| InChI Key | OQHMXCCDWJSOAQ-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 | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersbenzenoidshydrocarbon derivativesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheroxepaneoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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