| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:06 UTC |
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| Update Date | 2025-03-21 18:41:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136556 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C17H22O12 |
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| Molecular Mass | 418.1111 |
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| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OC1OC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | HLPMTGQQTILQFK-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanespyrogallols and derivativessecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideacetalhemiacetaloxanealcoholpyran carboxylic acid or derivativespyrogallol derivativebenzenetriolhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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