| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:59 UTC |
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| Update Date | 2025-03-25 00:55:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215152 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O6 |
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| Molecular Mass | 294.1103 |
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| SMILES | CC1CC(Oc2ccccc2C(=O)O)OC(C(=O)O)C1C |
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| InChI Key | AJQIAYHMAYPUKQ-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetalsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxanepyran carboxylic acid or derivativesbenzoic acid or derivativesoxacycleorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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