| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:09 UTC |
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| Update Date | 2025-03-21 18:36:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110718 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C21H36O20 |
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| Molecular Mass | 608.18 |
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| SMILES | O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2(C(=O)O)OC(CO)C(O)C(C(O)C(O)CO)O2)C1O)C(O)CO |
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| InChI Key | KRCLCTZVWJKWMZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetalsalkyl glycosidesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acid orthoesterscarboxylic acidsfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesortho estersoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidebeta-hydroxy aldehydecarbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativesaccharideorganic oxidealpha-hydroxyaldehydeacetalfatty alcoholaliphatic heteromonocyclic compoundorthocarboxylic acid derivativeoxaneprimary alcoholorganoheterocyclic compoundalcoholaldehydeoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativemeta-dioxaneorganooxygen compoundalkyl glycoside |
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