| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:23 UTC |
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| Update Date | 2025-03-25 00:48:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170187 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H40O10 |
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| Molecular Mass | 464.2621 |
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| SMILES | CCCCCCCCCCCCCC(=O)OC1OC(C(O)C(O)C(=O)O)C(O)C(O)C1O |
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| InChI Key | HNCNNGZENJFDOI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholfatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativeoxacyclefatty acid esterbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxaneorganoheterocyclic compoundorganooxygen compound |
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