| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:58 UTC |
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| Update Date | 2025-03-25 00:54:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203449 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O7 |
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| Molecular Mass | 254.0427 |
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| SMILES | O=C(O)CC(=O)COC(=O)c1ccc(O)c(O)c1 |
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| InChI Key | HMMSCSHXURFXIY-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 | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesp-hydroxybenzoic acid alkyl esters |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidketoneorganic oxidem-hydroxybenzoic acid ester1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundorganic oxygen compoundketo acidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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