| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:56 UTC |
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| Update Date | 2025-03-25 01:02:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H13NO2 |
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| Molecular Mass | 239.0946 |
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| SMILES | O=C(C=Cc1ccccn1)OCc1ccccc1 |
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| InChI Key | REPICONQSSDBMD-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundsenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | benzyloxycarbonylfatty acylcarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundenoate esterazacycleheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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