| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:11 UTC |
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| Update Date | 2025-03-21 18:34:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100943 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C12H10O6 |
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| Molecular Mass | 250.0477 |
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| SMILES | O=C1OCC2C1Oc1cc3c(cc1C2O)OCO3 |
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| InChI Key | YCXKEXKSLAIRQP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersbenzenoidsbenzodioxolescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupether1-benzopyranalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideacetalaromatic heteropolycyclic compoundbenzodioxolealcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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