| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:58 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7 |
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| Molecular Mass | 320.0896 |
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| SMILES | O=C(O)C1CC(O)C(O)C(Oc2ccc3ccc(O)cc3c2)O1 |
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| InChI Key | IBPJPJWNTRAZCX-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 | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsacetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaromatic heteropolycyclic compoundoxane2-naphtholorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganooxygen compound |
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