| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:22 UTC |
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| Update Date | 2025-03-25 01:00:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243283 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H37NO14 |
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| Molecular Mass | 671.2214 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(Oc3ccc4ccc5cccc6ccc3c4c56)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | CURFHOBDRWXRGH-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 | acetamidesc-glucuronidescarbonyl compoundscarboxylic acidshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenanthrenes and derivativesphenol ethersprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundketalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholphenanthrenepyran carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidepyrenemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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