Dataset
Schizandrin
Chemical Info
InChI | InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3 |
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SMILES | COC1=C(OC)C(OC)=C2C(CC(C)C(C)(O)CC3=CC(OC)=C(OC)C(OC)=C23)=C1 |
InChI Key | YEFOAORQXAOVJQ-UHFFFAOYSA-N |
Molecular Formula | C24H32O7 |
Exact Mass | 432.513 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303855 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T20:44:18.024829 |
MetadataModified | 2024-01-11T20:44:18.218406 |
MetadataPublished | 2019-03-28 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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CB3334838 | ChemicalBook |
80900 | ChEBI |
23915 | PubChem |
131530952 | PubChem: Thomson Pharma |
7432-28-2 | ACToR |
60015876 | NMRShiftDB |
PA166289002 | PharmGKB |
PD056352 | ProbesDrugs |
HMDB0258165 | Human Metabolome Database |
J527.346C | Nikkaji |
SCHEMBL2702845 | SureChEMBL |
32452636 | eMolecules |
C17064 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |