| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:16 UTC |
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| Update Date | 2025-03-21 18:39:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125295 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C22H18O6 |
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| Molecular Mass | 378.1103 |
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| SMILES | O=C(O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)CC(O)C1O |
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| InChI Key | UVKSVABTGMELAT-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 | 1,2-diolsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthalenesorganic oxidesoxacyclic compoundsoxanesphenanthrenes and derivativesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compound1,2-diolalcoholphenanthrenepyran carboxylic acid or derivativeshydroxy acidoxacyclepyrenemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganooxygen compound |
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