| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:28 UTC |
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| Update Date | 2025-03-25 00:46:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154622 |
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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 | COc1ccc(C2Oc3cc(C#N)ccc3C(CCCCC(=O)O)C2O)cc1 |
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| InChI Key | QKEWPUGSUKCKMV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | flavonoids |
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| Subclass | o-methylated flavonoids |
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| Direct Parent | 4'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans3-hydroxyflavonoidsalkyl aryl ethersamino fatty acidsanisolescarbonyl compoundscarboxylic acidsflavan-3-olsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarbonyl groupethernitrilecarboxylic acid1-benzopyranheterocyclic fatty acidflavanfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromanemedium-chain fatty acidhydroxy fatty acidflavan-3-olcarbonitrileorganoheterocyclic compoundalcoholbenzopyranamino fatty acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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