| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163429 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O6 |
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| Molecular Mass | 262.0477 |
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| SMILES | O=C(O)C(=O)CC(O)c1cc2ccccc2oc1=O |
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| InChI Key | ACCJOGCMELOCAU-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-benzopyransalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsbenzenoidsbeta-hydroxy ketonescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativessecondary alcohols |
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| Substituents | aromatic alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acid1-benzopyranalpha-hydroxy ketonecarboxylic acid derivativeketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranonealpha-keto acidorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundcoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranketo acidsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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