| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:22 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096486 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C27H35NO6 |
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| Molecular Mass | 469.2464 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(C(=O)O)c3ccccc3)CC2)cc1 |
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| InChI Key | GCDUMRFNQFYFAA-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanespiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalpha-hydroxy acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminehydroxy acidtertiary alcoholorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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