| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:09 UTC |
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| Update Date | 2025-03-21 18:02:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041270 |
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| Frequency | 83.4 |
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| Structure | |
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| Chemical Formula | C16H17NO5 |
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| Molecular Mass | 303.1107 |
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| SMILES | CN1C2CC(OC(=O)c3ccccc3C(=O)O)CC1C1OC12 |
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| InChI Key | PRCANYMIGKBAPU-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdialkyl ethersdicarboxylic acids and derivativesepoxideshydrocarbon derivativesmorpholinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundspiperidinestrialkylamines |
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| Substituents | ethercarboxylic acidamino acid or derivativesamino acidbenzoylbenzoate estercarboxylic acid derivativedialkyl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidpyrrolidinepiperidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic amineoxiraneoxazinaneoxacyclemorpholineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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