| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:32 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H23NO5 |
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| Molecular Mass | 381.1576 |
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| SMILES | COc1ccc2[nH]cc(CC3C(=O)OCC3Cc3ccc(OC)c(O)c3)c2c1 |
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| InChI Key | VBXJYBGCAWVOJS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesindolesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspyrrolestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherindole1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycletetrahydrofuranheteroaromatic compoundindole or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterpyrrolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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