| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:42 UTC |
|---|
| Update Date | 2025-03-25 00:58:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02228141 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C33H39N3O6S |
|---|
| Molecular Mass | 605.256 |
|---|
| SMILES | C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)SC1=O |
|---|
| InChI Key | OZNVJADVMMWSJH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarbothioic s-lactonescarboxylic acidsdihydrothiophenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidesthioestersthiolactones |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound2,5-dihydrothiopheneorganic oxideorganonitrogen compoundorganopnictogen compoundthiolactoneorganoheterocyclic compoundcarbothioic s-lactonethiocarboxylic acid or derivativesazacyclethiocarboxylic acid esterheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
