| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:35 UTC |
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| Update Date | 2025-03-25 00:59:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H32O4 |
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| Molecular Mass | 348.2301 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)C(C)(CCCC(C)C(=O)O)O2 |
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| InChI Key | TVDVEIQWKCNUDK-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 | alkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidmethyl-branched fatty acidheterocyclic fatty acidbenzoxepinefatty acidalkyl aryl ethercarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
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