| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:44 UTC |
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| Update Date | 2025-03-21 18:05:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056757 |
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| Frequency | 56.1 |
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| Structure | |
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| Chemical Formula | C14H6O8 |
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| Molecular Mass | 302.0063 |
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| SMILES | O=C1Oc2c(O)c(O)cc3c(=O)oc4c1cc(O)c(O)c4c23 |
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| InChI Key | RGTZTCRQNAEEBT-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransbenzenoidscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidisocoumarincarboxylic acid derivativecoumarinlactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrancarboxylic acid ester2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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