| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:05 UTC |
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| Update Date | 2025-03-25 00:48:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H35NO17 |
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| Molecular Mass | 573.1905 |
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| SMILES | CC(=O)NC1C(OC2C(O)C(O)C(O)CC2(O)C(=O)O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | FOBCVBILCXXRGX-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 acidscyclohexanolsfatty acyl glycosides of mono- and disaccharideshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativessecondary carboxylic acid amidestertiary alcohols |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativen-acyl-alpha-hexosaminesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholfatty acyl glycosidecyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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