| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:52 UTC |
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| Update Date | 2025-03-25 01:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26O13 |
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| Molecular Mass | 462.1373 |
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| SMILES | O=C(CCC(O)(Cc1ccc(O)c(O)c1)C(=O)O)OCOC1OC(CO)C(O)C(O)C1O |
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| InChI Key | ZFQLZVSSUPJIRS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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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 compoundsoxanesprimary alcoholssecondary alcoholstertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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