| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:12 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240576 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H14O6 |
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| Molecular Mass | 314.079 |
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| SMILES | CC(C(=O)O)c1ccc(C(=O)c2cccc(O)c2C(=O)O)cc1 |
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| InChI Key | BHYAMEJROLMRQR-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 | benzophenones |
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| Direct Parent | benzophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic monoterpenoidsaryl ketonesaryl-phenylketonesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativesdiphenylmethaneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanoic acidssalicylic acidsvinylogous acids |
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| Substituents | diphenylmethanemonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidp-cymenesalicylic acidcarboxylic acid derivativebenzophenoneketoneorganic oxide2-phenylpropanoic-acid1-carboxy-2-haloaromatic compoundbenzoic acidaryl-phenylketonebenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compoundaromatic monoterpenoidaryl ketone |
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