| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:52 UTC |
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| Update Date | 2025-03-25 00:46:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155533 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O4 |
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| Molecular Mass | 298.1205 |
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| SMILES | Cc1ccc2c(c1)COC2(CCC(=O)O)c1ccc(O)cc1 |
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| InChI Key | HDTRYBFJEPHGLL-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 | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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