| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:08 UTC |
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| Update Date | 2025-03-21 18:04:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050812 |
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| Frequency | 64.5 |
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| Structure | |
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| Chemical Formula | C18H21NO5 |
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| Molecular Mass | 331.142 |
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| SMILES | COc1cc(C=CC(=O)OC2CC3C4OC4C(C2)N3C)ccc1O |
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| InChI Key | JLNQOOFRFHBKNP-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acids and derivativesanisolesazacyclic compoundscarbonyl compoundsdialkyl ethersenoate estersepoxidesfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmorpholinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspiperidinestrialkylamines |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheramino acid or derivatives1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativedialkyl etheralpha,beta-unsaturated carboxylic esterorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidinepiperidinetertiary amineorganoheterocyclic compoundenoate esterazacyclen-alkylpyrrolidinetertiary aliphatic amineoxiranemethoxybenzenehydroxycinnamic acidoxazinaneoxacyclefatty acid estermorpholinemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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