| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:56 UTC |
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| Update Date | 2025-03-21 18:28:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073999 |
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| Frequency | 40.2 |
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| Structure | |
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| Chemical Formula | C17H24O5 |
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| Molecular Mass | 308.1624 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)OC(C)(CCCC(C)C(=O)O)O2 |
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| InChI Key | SKDNAWHVVBEHBD-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsketalsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmethyl-branched fatty acidheterocyclic fatty acidfatty acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundketalhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compoundbenzodioxole |
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