| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:09 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235960 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O7 |
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| Molecular Mass | 360.1209 |
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| SMILES | COc1cc(CCC(=O)O)ccc1OC(Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | RMDUJLXBDNABKX-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 benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenoxyacetic acid derivativesphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidnorlignan skeletonalkyl aryl ethercarboxylic acid derivativeneolignan skeletonorganic oxidemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundoxyneolignan skeletonanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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