| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:23 UTC |
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| Update Date | 2025-03-25 00:47:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158860 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | Oc1ccc(CC2C=CC(O)CO2)cc1O |
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| InChI Key | CGPXAXLBRQEQRH-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-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkyl ethershydrocarbon derivativesoxacyclic compoundspyranssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoiddialkyl etheroxacycleorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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