| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:57 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217414 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H33NO6 |
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| Molecular Mass | 443.2308 |
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| SMILES | COc1cc(CC2COC(=O)C2Cc2ccc(OCC(O)CNC(C)C)cc2)ccc1O |
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| InChI Key | LOHBOMZTPOUPSL-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 | furanoid lignans |
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| Subclass | tetrahydrofuran lignans |
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| Direct Parent | dibenzylbutyrolactone lignans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acids and derivativesanisolescarbonyl compoundscarboxylic acid estersdialkylaminesgamma butyrolactoneshydrocarbon derivativeslignan lactonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesdibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelignan lactonelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary aminemethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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