| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O8 |
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| Molecular Mass | 272.0532 |
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| SMILES | O=C(O)c1ccc(OC(C(=O)O)C(O)CO)c(O)c1 |
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| InChI Key | LBHDPMDNUJRRKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesorganic oxidesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidebenzoic acidprimary alcohol1,2-diolalcoholbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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