| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:22 UTC |
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| Update Date | 2025-03-25 00:56:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216014 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21IO3 |
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| Molecular Mass | 376.0535 |
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| SMILES | CCCCC(CC)COC(=O)c1ccc(I)cc1O |
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| InChI Key | XYAUXWYDPUHCAF-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4-halobenzoic acids and derivativesaryl iodidesbenzoyl derivativescarboxylic acid estershalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxide3-halophenolhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativearyl iodidehalobenzene3-iodophenolorganooxygen compound |
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