| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:50 UTC |
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| Update Date | 2025-03-21 18:36:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112367 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C19H20O4 |
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| Molecular Mass | 312.1362 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)CC1Cc1cccc(O)c1 |
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| InChI Key | IVBBBXWYRQMNMK-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 compoundsoxanes |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound |
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