| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:21 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186137 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24O13 |
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| Molecular Mass | 448.1217 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCOC1OC(C(=O)O)C(O)C(C(O)O)O1 |
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| InChI Key | WPZXUDJZVZBLPZ-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 | 1,1-diols1,3-dioxanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscarbonyl hydratescarboxylic acid esterscarboxylic acid orthoesterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesortho estersoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundortho ester1-hydroxy-2-unsubstituted benzenoidcarboxylic acid orthoestercarboxylic acid derivativebeta-hydroxy acidorganic oxideacetalorthocarboxylic acid derivativeorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoid1,1-dioloxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidmeta-dioxaneorganooxygen compound |
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