| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:26 UTC |
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| Update Date | 2025-03-25 00:45:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O5 |
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| Molecular Mass | 234.0528 |
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| SMILES | O=C(CC(O)C(=O)O)c1coc2ccccc12 |
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| InChI Key | AAWUFNSSFNKUHZ-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 | benzofurans |
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| Subclass | benzofurans |
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| Direct Parent | benzofurans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaryl alkyl ketonesbenzenoidsbeta-hydroxy ketonescarboxylic acidsfuroic acid and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | furanbeta-hydroxy ketonecarbonyl groupcarboxylic acidaryl alkyl ketonealpha-hydroxy acidcarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundalcoholfuroic acid or derivativesbenzofuranheteroaromatic compoundhydroxy acidgamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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