Dataset
![molecular Image]()
Oleandrin
Chemical Info
| InChI | InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 |
|---|---|
| SMILES | [H]C(C36[H])(C(C5)(O)C(CC6)(C)C(C5OC(C)=O)C(C4)=CC(O4)=O)CCC(C31C)([H])CC(OC(C2)OC(C(O)C(OC)2)C)CC1 |
| InChI Key | JLPDBLFIVFSOCC-XYXFTTADSA-N |
| Molecular Formula | C32H48O9 |
| Exact Mass | 576.330 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002670 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:40:47.965796 |
| MetadataModified | 2025-02-09T20:25:22.525361 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-8747175999 | Mcule |
| 11541511 | PubChem |
| 4832413 | eMolecules |
| 16643571 | PubChem: Thomson Pharma |
| SCHEMBL25049 | SureChEMBL |
| 465-16-7 | ACToR |
| 59030 | ChEBI |
| II95UDU7I4 | FDA SRS |
| PD040549 | ProbesDrugs |
| 60020062 | NMRShiftDB |
| ZINC000008214621 | ZINC |
| DB12843 | DrugBank |
| 3399 | DrugCentral |
| HY-13719 | MedChemExpress |
| CHEMBL4285883 | ChEMBL |
| 50465465 | BindingDB |
| LMST01120025 | LipidMaps |
| BAVJEN | CCDC |
| 41267 | Brenda |
| 163538 | Brenda |
| ANVIRZEL | clinicaltrials |
| J12.065K | Nikkaji |
| MTBLC59030 | Metabolights |
| The data in this table is sourced from UniChem at EBI. | |