| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:22 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H42O22 |
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| Molecular Mass | 694.2168 |
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| SMILES | O=C(O)C1(OCC2OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)OC3CO)C(O)C(O)C2O)CC(O)C(O)C(CO)O1 |
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| InChI Key | OGFKQUOCMKXYJY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidshemiacetalshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesortho estersoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativesaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundhemiacetalorthocarboxylic acid derivativeoxaneprimary alcoholalcoholpyran carboxylic acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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