| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:24 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206735 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O7 |
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| Molecular Mass | 318.074 |
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| SMILES | O=C(CCc1ccc(O)c(O)c1)Oc1ccc(C(=O)O)cc1O |
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| InChI Key | KOCWNOWYMQLVPY-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 | benzoic acids and derivatives |
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| Direct Parent | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound |
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