| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:41 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O7 |
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| Molecular Mass | 220.0583 |
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| SMILES | O=C1OC(C(CO)C(=O)O)CC(O)C1O |
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| InChI Key | IHKDZIQUKBTCFH-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic aciddelta valerolactonehydroxy acidcarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxaneprimary alcoholdelta_valerolactoneorganooxygen compound |
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