| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:37 UTC |
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| Update Date | 2025-03-25 00:53:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198044 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H27NO10S |
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| Molecular Mass | 425.1356 |
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| SMILES | CSCC1OC(OC2CC(O)(C(=O)O)CC(O)C2NC(C)=O)C(O)C(O)C1O |
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| InChI Key | YORRKOAHUIIXIT-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 | acetalsacetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesquinic acids and derivativessecondary carboxylic acid amidessulfenyl compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholsulfenyl compounddialkylthioethercyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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