| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:41 UTC |
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| Update Date | 2025-03-25 00:55:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O7 |
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| Molecular Mass | 274.1053 |
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| SMILES | CC=CC(=O)OC1C(O)CC(O)(C(=O)O)OC1(C)C |
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| InChI Key | DJLIXXBBOZBSEW-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxaneenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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