| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:23 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O9 |
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| Molecular Mass | 322.1264 |
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| SMILES | O=C1CCCC(C(O)COC2OC(CO)C(O)C(O)C2O)O1 |
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| InChI Key | RRQCFVPLJBORNA-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 | lactones |
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| Subclass | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholcarbonyl groupdelta valerolactonemonosaccharidecarboxylic acid derivativeoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcoholdelta_valerolactoneorganooxygen compound |
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