| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:41 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24O3 |
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| Molecular Mass | 276.1725 |
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| SMILES | Cc1cc(CC2CCC(=O)O2)c(C)c(C(C)(C)C)c1O |
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| InChI Key | PZGLPADIMYZOGI-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesortho cresolsoxacyclic compoundsphenolstetrahydrofuransp-xylenesp-xylenols |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativelactonephenylpropanexyleneorganic oxidexylenolo-cresolorganoheterocyclic compoundm-cresoltetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesp-xyleneorganic oxygen compoundcarboxylic acid esterp-xylenolphenolhydrocarbon derivativeorganooxygen compound |
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