| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:12 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O5 |
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| Molecular Mass | 314.1154 |
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| SMILES | O=C(O)CCc1ccc(O)c(C(=O)CCc2ccc(O)cc2)c1 |
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| InChI Key | VRWNTWBVURAFDV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | linear 1,3-diarylpropanoids |
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| Subclass | chalcones and dihydrochalcones |
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| Direct Parent | 2'-hydroxy-dihydrochalcones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidscinnamylphenolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acidsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl group2'-hydroxy-dihydrochalconecarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolcarboxylic acid derivativeketoneorganic oxidephenylketonebutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidalkyl-phenylketoneorganooxygen compoundaryl ketone |
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