| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:55 UTC |
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| Update Date | 2025-03-25 01:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249177 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H31NO5 |
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| Molecular Mass | 389.2202 |
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| SMILES | COCCc1ccc(OCC(O)CNC(C)Cc2ccc(O)c(OC)c2)cc1 |
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| InChI Key | SZWSRVHADCPKKA-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 | phenethylamines |
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| Direct Parent | methoxylated amphetamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesdialkyl ethersdialkylamineshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsphenoxy compoundsphenylpropanessecondary alcoholstyrosols and derivatives |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherdialkyl etherphenylpropaneorganonitrogen compoundorganopnictogen compoundtyrosol derivativealcoholsecondary aliphatic aminemethoxylated amphetaminesecondary aminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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