| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:51 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253570 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O14 |
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| Molecular Mass | 492.1479 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCOC1OC(C(O)(CO)C(=O)O)C(O)C(O)C1O |
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| InChI Key | AJOLAUJZOQOUFN-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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