| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:50 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157649 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O6 |
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| Molecular Mass | 238.0477 |
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| SMILES | O=C(O)CCC1OC(=O)c2cc(O)c(O)cc21 |
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| InChI Key | RQSGRBTVKZQHBG-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 | benzofuranones |
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| Direct Parent | benzofuranones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundsphthalides |
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| Substituents | carbonyl groupcarboxylic acidbenzofuranone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephthalidelactoneoxacycleorganic oxideisobenzofuranoneisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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