| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:38 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218991 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O3 |
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| Molecular Mass | 168.0786 |
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| SMILES | COc1c(C)oc(C)c1C(C)=O |
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| InChI Key | IPUKKUCVLDHLRC-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 | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | furoic acid or derivativesetheraryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundalkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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