| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:12 UTC |
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| Update Date | 2025-03-21 18:05:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055520 |
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| Frequency | 57.7 |
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| Structure | |
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| Chemical Formula | C29H35NO4 |
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| Molecular Mass | 461.2566 |
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| SMILES | COc1cc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccc1O |
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| InChI Key | DOHLKVUEYCRHSD-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 | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsphenoxy compoundsphenylbutylaminespiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanephenol etheretheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherphenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminemethoxybenzenetertiary alcoholorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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