| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:36 UTC |
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| Update Date | 2025-03-25 01:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O11 |
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| Molecular Mass | 388.1006 |
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| SMILES | O=C(O)C1(OCC2OC(CO)C(O)C(O)C2O)Cc2c(O)cc(O)cc2O1 |
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| InChI Key | VUIQEWSTNRDNJS-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideacetalaromatic heteropolycyclic compoundketaloxaneprimary alcoholcoumaranalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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