| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:15 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181379 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O7 |
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| Molecular Mass | 270.074 |
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| SMILES | O=C(O)COCC(O)COC(=O)c1ccccc1O |
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| InChI Key | IMPYBCNTUZXKRA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | glycerolipids |
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| Subclass | other glycerolipids |
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| Direct Parent | other glycerolipids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesglycerol ethershydrocarbon derivativesorganic oxidessalicylic acid and derivativessecondary alcoholsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativedialkyl etherorganic oxideglycerol etheralcoholbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acid1,3-dialkyl-sn-glycerolorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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