| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:05 UTC |
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| Update Date | 2025-03-25 01:00:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242603 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O2 |
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| Molecular Mass | 176.0837 |
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| SMILES | CC(=O)CC1OCc2ccccc21 |
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| InChI Key | TWDQFQROTLWNQZ-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 | benzenoidsdialkyl ethershydrocarbon derivativesketonesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupetherdialkyl etherketoneoxacycleorganic oxideisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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