| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:50 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162053 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O10 |
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| Molecular Mass | 392.0743 |
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| SMILES | O=C(O)C1CC(Oc2cc3c4oc-4ccc(O)cc3c(=O)o2)C(O)C(O)C1O |
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| InChI Key | YKTPQYHHJAXJTI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyranones and derivatives |
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| Direct Parent | pyranones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundpyranonealcoholheteroaromatic compoundcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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