| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:31 UTC |
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| Update Date | 2025-03-25 00:46:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154719 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H12O7 |
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| Molecular Mass | 340.0583 |
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| SMILES | COc1ccc(-c2cc(O)cc3oc(C(=O)O)cc(=O)c3c2=O)cc1 |
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| InChI Key | RURJCFVYMKUMBQ-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 | cycloheptapyrans |
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| Subclass | cycloheptapyrans |
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| Direct Parent | cycloheptapyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarboxylic acidsheteroaromatic compoundsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivativestropones |
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| Substituents | phenol ethermonocyclic benzene moietyethertroponecarboxylic acidheteroaromatic compoundalkyl aryl ethercarboxylic acid derivativemethoxybenzenecycloheptapyranoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisolepyranonehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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