| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:04 UTC |
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| Update Date | 2025-03-21 18:31:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086271 |
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| Frequency | 33.1 |
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| Structure | |
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| Chemical Formula | C16H22O4 |
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| Molecular Mass | 278.1518 |
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| SMILES | Cc1c(O)cc2c(c1C)OC(C)(CCC(=O)O)CCC2 |
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| InChI Key | YBBRICCRUORQTO-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 | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidbenzoxepine1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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