| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:32 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221091 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O10 |
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| Molecular Mass | 396.1056 |
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| SMILES | O=C1C=CC(Cc2cc(O)cc(OC3C(O)C(O)C(O)C(O)C3C(=O)O)c2)O1 |
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| InChI Key | IDOMNDWJJWNWOQ-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbeta hydroxy acids and derivativesbutenolidescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonebeta-hydroxy acidorganic oxideorganoheterocyclic compounddihydrofuranenoate esteralcoholcyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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