| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:36 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182157 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H14O10 |
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| Molecular Mass | 402.0587 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)oc(=O)c2ccccc23)C(O)C(C(=O)O)O1 |
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| InChI Key | UCPZCJAUHGLJJH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxanes1-benzopyrans2-benzopyransacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesoxacyclic compoundsphenol etherspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyrancarboxylic acid derivativelactonebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundhydroxy acidisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidmeta-dioxaneorganooxygen compound |
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