| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:11 UTC |
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| Update Date | 2025-03-21 18:32:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088836 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C23H20O8 |
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| Molecular Mass | 424.1158 |
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| SMILES | O=C(O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C(O)C(O)C1O |
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| InChI Key | UPTZICHJKDRRNO-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesoxacyclic compoundsoxepanesphenanthrenes and derivativesphenol etherssecondary alcohols |
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| Substituents | alcoholphenol etherphenanthrenecarbonyl groupcarboxylic acidhydroxy acidcarboxylic acid derivativeoxepaneoxacyclepyrenebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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