Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:41 UTC |
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Update Date | 2025-03-21 18:36:13 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00109573 |
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Frequency | 24.4 |
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Structure | |
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Chemical Formula | C13H16O4 |
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Molecular Mass | 236.1049 |
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SMILES | CC1(O)CCOC(=O)C1Cc1cccc(O)c1 |
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InChI Key | PTSMMULBTMDGBC-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 | lactones |
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Subclass | delta valerolactones |
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Direct Parent | delta valerolactones |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanestertiary alcohols |
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Substituents | alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound |
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