| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:23 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8O7 |
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| Molecular Mass | 252.027 |
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| SMILES | O=C(O)C(O)c1cc2c(O)cc(O)cc2oc1=O |
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| InChI Key | NHIJBOKBARZTSX-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 | hydroxycoumarins |
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| Direct Parent | 7-hydroxycoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesaromatic alcoholsbenzenoidscarbonyl compoundscarboxylic acidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acid1-benzopyranalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundalcoholbenzopyran7-hydroxycoumarinheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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