Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:04 UTC |
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Update Date | 2025-03-21 18:35:26 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105609 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C23H22O7 |
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Molecular Mass | 410.1366 |
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SMILES | OCC(O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C(O)C1O |
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InChI Key | DJPIYYAWLLSGSH-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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