| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:53 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O4 |
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| Molecular Mass | 184.0736 |
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| SMILES | COC(=O)C1=C(C)OC(C(C)=O)C1 |
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| InChI Key | SXXLRUIALDEPQP-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 | dihydrofurans |
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| Subclass | dihydrofurans |
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| Direct Parent | dihydrofurans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | enoate estershydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
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| Substituents | enoate estercarbonyl groupvinylogous estercarboxylic acid derivativeketoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compounddihydrofuran |
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