| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:54 UTC |
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| Update Date | 2025-03-21 18:32:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092978 |
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| Frequency | 30.1 |
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| Structure | |
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| Chemical Formula | C22H16O8 |
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| Molecular Mass | 408.0845 |
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| SMILES | O=C(O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)OC(C(=O)O)C1O |
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| InChI Key | CGIKPQICPAQWLM-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 | pyrenes |
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| Subclass | pyrenes |
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| Direct Parent | pyrenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesnaphthalenesorganic oxidesortho estersoxacyclic compoundsphenanthrenes and derivativesphenol etherssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidortho estercarboxylic acid orthoestercarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorthocarboxylic acid derivativeorganoheterocyclic compoundalcoholphenanthrenehydroxy acidoxacyclepyrenenaphthaleneorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemeta-dioxaneorganooxygen compound |
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