| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:45 UTC |
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| Update Date | 2025-03-25 00:49:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O3 |
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| Molecular Mass | 268.1099 |
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| SMILES | O=C(O)C(=Cc1ccccc1)CCc1cccc(O)c1 |
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| InChI Key | AOLOTPWTNNJJOW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | Not Available |
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| Subclass | lignans, neolignans and related compounds |
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| Direct Parent | lignans, neolignans and related compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscinnamic acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidnorlignan skeleton1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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