| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:44 UTC |
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| Update Date | 2025-03-25 00:45:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O7 |
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| Molecular Mass | 218.0427 |
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| SMILES | O=C(O)C1OC(C(O)CO)C(O)=CC1=O |
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| InChI Key | SWALCOCMJINVAB-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 | pyranones and derivatives |
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| Direct Parent | dihydropyranones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1,3-dicarbonyl compoundscarboxylic acidscyclic ketonesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous acids |
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| Substituents | carbonyl groupethercarboxylic aciddihydropyranonecyclic ketonecarboxylic acid derivativedialkyl etherketoneorganic oxidealiphatic heteromonocyclic compoundprimary alcohol1,2-diolalcoholoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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