| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:24 UTC |
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| Update Date | 2025-03-25 00:49:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172510 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O2 |
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| Molecular Mass | 230.1307 |
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| SMILES | CCC1=C(C)C(Cc2cccc(C)c2)OC1=O |
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| InChI Key | VCVHYFNMPNGCNH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | butenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativetolueneorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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