| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:00 UTC |
|---|
| Update Date | 2025-03-25 00:46:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02158000 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C28H32N2O4 |
|---|
| Molecular Mass | 460.2362 |
|---|
| SMILES | O=C(O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)nc1 |
|---|
| InChI Key | LQUACGGWIALRTL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylmethanes |
|---|
| Direct Parent | diphenylmethanes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesamino acidsaromatic alcoholsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinespolyhalopyridinespyridine-3-carboxylic acidssecondary alcoholstertiary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholpyridine carboxylic acid or derivativesdiphenylmethanecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinetertiary amineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinetertiary alcoholmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
