| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:38:57 UTC |
|---|
| Update Date | 2025-03-24 22:18:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01151295 |
|---|
| Frequency | 1.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C45H49N3O15 |
|---|
| Molecular Mass | 871.3164 |
|---|
| SMILES | CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc(c2C)CCC1O)c(CCC(=O)O)c5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O |
|---|
| InChI Key | RTZIXFVBALNQEN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | heteroaromatic compounds |
|---|
| Subclass | heteroaromatic compounds |
|---|
| Direct Parent | heteroaromatic compounds |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
