| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:00:50 UTC |
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| Update Date | 2025-03-25 01:16:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02341316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C37H63NO31 |
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| Molecular Mass | 1017.3384 |
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| SMILES | CC(=O)NC1C(O)CC(OC2CC(OCC3OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)CO)C4O)OC(CO)C(O)C3O)(C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | LICHABOMWJFZTE-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 | 1,3-dioxepanesacetamidesalkyl glycosidesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharideshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarboxylic acidmonosaccharidecarboxylic acid orthoesterpyran carboxylic aciddialkyl etherbeta-hydroxy acidsaccharideacetalketalorganonitrogen compoundorthocarboxylic acid derivativeoxaneorganoheterocyclic compoundacetamidehydrolyzable tanninc-glucuronidealcoholfatty acyl glycosidecyclohexanolcyclitol or derivativesdioxepanesecondary carboxylic acid amidedicarboxylic acid or derivativeshydrocarbon derivativequinic acidfatty acyl1,3-dioxepanecarbonyl groupetherortho estercarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganopnictogen compoundprimary alcoholpyran carboxylic acid or derivativeshydroxy acidcyclic alcoholcarboxamide groupoxacycleorganic oxygen compoundpyransecondary alcoholorganic nitrogen compoundorganooxygen compoundalkyl glycoside |
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