| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:21 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238624 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H18O8 |
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| Molecular Mass | 422.1002 |
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| SMILES | O=C(O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)(C(=O)O)CC(O)C1O |
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| InChI Key | XKTKCWPRLSUIOO-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-diolsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketalsmonosaccharidesnaphthalenesorganic oxidesoxacyclic compoundsoxanesphenanthrenes and derivativesphenol ethersphenoxyacetic acid derivativespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundketaloxaneorganoheterocyclic compound1,2-diolalcoholphenanthrenepyran carboxylic acid or derivativeshydroxy acidoxacyclepyrenenaphthaleneorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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