| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:10 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162833 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O6 |
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| Molecular Mass | 280.0947 |
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| SMILES | O=C(Cc1ccccc1)OC1OC(C(=O)O)CCC1O |
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| InChI Key | PBUWKVHUKIPPAS-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 | acetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compoundcarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidoxaneorganooxygen compound |
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