| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:50 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198541 |
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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)C1(Oc2ccc3c(c2)oc(=O)c2ccccc23)CC(O)C(O)(C(=O)O)O1 |
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| InChI Key | SRKYMGIUYCKFEW-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-benzopyrans2-benzopyransalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativesketalslactonesmonosaccharidesorganic oxidesoxacyclic compoundsphenol ethersphenoxyacetic acid derivativespyranones and derivativessecondary alcoholstetrahydrofurans |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupcarboxylic acid1-benzopyranalpha-hydroxy acidmonosaccharidecarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundketalpyranonehemiacetalorganoheterocyclic compoundalcoholbenzopyrantetrahydrofuranheteroaromatic compoundhydroxy acidisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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