| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:07 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181082 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O6 |
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| Molecular Mass | 250.0477 |
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| SMILES | O=C(O)CC(O)=CC(=O)c1ccccc1C(=O)O |
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| InChI Key | WIMBPFUZHNSEGT-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 | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha,beta-unsaturated ketonesaryl ketonesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylalpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneorganic oxidemedium-chain fatty acidhydroxy fatty acid1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativesaromatic homomonocyclic compoundvinylogous acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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