| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:10 UTC |
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| Update Date | 2025-03-25 00:52:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194733 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H32N2O7 |
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| Molecular Mass | 412.221 |
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| SMILES | CCN(CC)CCOC(=O)c1ccc(NCC2OC(CO)C(O)C(O)C2O)cc1 |
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| InChI Key | WQBGXQUZAZOXRQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoyl derivativescarboxylic acid estersdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminesprimary alcoholssecondary alcoholssecondary alkylarylaminestrialkylamines |
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| Substituents | etheraromatic heteromonocyclic compoundamino acid or derivativesbenzoylmonosaccharidebenzoate estercarboxylic acid derivativedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholtertiary amineorganoheterocyclic compoundalcoholtertiary aliphatic aminesecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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