| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:31 UTC |
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| Update Date | 2025-03-25 01:00:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243633 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H40N2O4 |
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| Molecular Mass | 528.2988 |
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| SMILES | CC(=O)NC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | MMWJECKQYHEEKD-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 | acetamidesamino acidsaromatic alcoholsaromatic monoterpenoidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundsphenylbutylaminesphenylpropanoic acidspiperidinessecondary carboxylic acid amidestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanemonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidp-cymenecarboxylic acid derivativeorganic oxidephenylbutylamine2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundacetamidealcoholazacycletertiary aliphatic aminecarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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