Dataset
Altersolanol A
Chemical Info
InChI | InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1 |
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SMILES | C[C@]1([C@@H]([C@H](C2=C([C@H]1O)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O)O)O |
InChI Key | VSMBLBOUQJNJIL-JJXSEGSLSA-N |
Molecular Formula | C16H16O8 |
Exact Mass | 336.084 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000069 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:24:15.341129 |
MetadataModified | 2024-01-11T09:24:15.491138 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
89644 | PubChem |
15495599 | PubChem: Thomson Pharma |
70000557 | NMRShiftDB |
J16.205A | Nikkaji |
SCHEMBL2793105 | SureChEMBL |
RIJHOH | CCDC |
2615 | ChEBI |
50480485 | BindingDB |
DTXSID10891800 | EPA CompTox Dashboard |
CHEMBL512054 | ChEMBL |
C10296 | KEGG Ligand |
31239937 | eMolecules |
The data in this table is sourced from UniChem at EBI. |