| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:15 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO2 |
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| Molecular Mass | 231.1259 |
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| SMILES | COC(=O)C1=C(C)NCC1c1ccc(C)cc1 |
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| InChI Key | FVXBYSMOGGWEIF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolines |
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| Subclass | phenylpyrrolines |
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| Direct Parent | phenylpyrrolines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundsdialkylaminesenoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolestoluenesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivatives3-phenylpyrrolinecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundenoate estervinylogous amidesecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compoundamine |
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