| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:14 UTC |
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| Update Date | 2025-03-25 00:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22O13 |
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| Molecular Mass | 398.106 |
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| SMILES | O=C(O)C1C(O)C(O)C(O)CC1(OC1OC(CO)C(O)C(O)C1O)C(=O)O |
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| InChI Key | GRVLBMSHRIUTSM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | tannins |
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| Subclass | hydrolyzable tannins |
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| Direct Parent | hydrolyzable tannins |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharideshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivatives |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundhydrolyzable tanninalcoholfatty acyl glycosidecyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundquinic acid |
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