| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:45 UTC |
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| Update Date | 2025-03-25 00:54:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207528 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO2 |
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| Molecular Mass | 227.0946 |
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| SMILES | O=C(C=Cc1ccc[nH]1)OCc1ccccc1 |
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| InChI Key | LGOONSKKDTZLFA-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 | azacyclic compoundscarbonyl compoundsenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | benzyloxycarbonylenoate esterfatty acylcarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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