| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:46 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219315 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21NO7 |
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| Molecular Mass | 375.1318 |
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| SMILES | COc1cc(CC(Oc2ccc(CC(N)C(=O)O)cc2)C(=O)O)ccc1O |
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| InChI Key | QOQQGTMGTFSIAF-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 ethersalpha amino acidsamphetamines and derivativesanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenoxyacetic acid derivativesphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeneolignan skeletonorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesmethoxybenzenearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundoxyneolignan skeletonanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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