| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:59 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217485 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O5 |
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| Molecular Mass | 302.1154 |
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| SMILES | COc1cc(CC(O)C(=O)Cc2ccc(O)cc2)ccc1O |
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| InChI Key | LRYKMBLBHOGLPC-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 benzenoidsacyloinsalkyl aryl ethersalpha-hydroxy ketonesanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolnorlignan skeletonalkyl aryl etheralpha-hydroxy ketonemethoxybenzeneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisoleacyloinsecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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