| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:52 UTC |
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| Update Date | 2025-03-21 17:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005828 |
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| Frequency | 903.2 |
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| Structure | |
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| Chemical Formula | C22H20O6 |
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| Molecular Mass | 380.126 |
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| SMILES | OCC1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C(O)C1O |
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| InChI Key | IVDHRIULYZCJBR-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 | acetalshydrocarbon derivativesmonosaccharidesnaphthalenesoxacyclic compoundsoxanesphenanthrenes and derivativesphenol ethersprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol etherphenanthrenemonosaccharideoxacyclepyrenesaccharidenaphthaleneorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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