| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:13 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208639 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O5 |
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| Molecular Mass | 292.1311 |
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| SMILES | CC(C)(C)c1cc(CC2CCC(=O)O2)cc(C(=O)O)c1O |
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| InChI Key | PYYHHYPQJCHZDI-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 | benzoic acids and derivatives |
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| Direct Parent | salicylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenolsphenylpropanestetrahydrofuransvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylsalicylic acidcarboxylic acid derivativelactonephenylpropaneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundtetrahydrofurangamma butyrolactoneoxacyclevinylogous acidorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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