| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:29 UTC |
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| Update Date | 2025-03-25 00:54:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H6O7 |
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| Molecular Mass | 286.0114 |
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| SMILES | O=C1Oc2cc(O)c(O)c3oc(=O)c4c1c(O)ccc4c23 |
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| InChI Key | IAZOZAQHAZQHTN-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 derivativesvinylogous acids |
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| Substituents | benzopyran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidisocoumarincarboxylic acid derivativecoumarinlactoneoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrancarboxylic acid ester2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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