| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:06 UTC |
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| Update Date | 2025-03-21 18:04:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050740 |
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| Frequency | 64.6 |
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| Structure | |
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| Chemical Formula | C21H16O6 |
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| Molecular Mass | 364.0947 |
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| SMILES | O=C(O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C1O |
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| InChI Key | DTVAAJAFEXOZQO-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 compoundsphenanthrenes and derivativesphenol etherssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compound1,2-diolalcoholphenanthrenetetrahydrofuranhydroxy acidoxacyclepyrenemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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