Dataset
Silychristin
Chemical Info
InChI | InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1 |
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SMILES | C(OC1=C(C(=C(C(=C1[H])[C@@]2([H])[C@@]([H])(C3=C(O2)C(=C(C(=C3[H])[C@]4([H])[C@]([H])(C(=O)C5=C(C(=C(C(=C5O4)[H])O[H])[H])O[H])O[H])[H])O[H])C(O[H])([H])[H])[H])[H])O[H])([H])([H])[H] |
InChI Key | BMLIIPOXVWESJG-LMBCONBSSA-N |
Molecular Formula | C25H22O10 |
Exact Mass | 482.121 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-BS-BS003686 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:19.494753 |
MetadataModified | 2024-01-11T12:34:19.665420 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
LMPK12140717 | LipidMaps |
227822 | Brenda |
ZINC000003793048 | ZINC |
HY-N0647 | MedChemExpress |
DTXSID50187512 | EPA CompTox Dashboard |
SCHEMBL971442 | SureChEMBL |
J913.169H | Nikkaji |
MTBLC9143 | Metabolights |
MolPort-006-069-276 | MolPort |
441764 | PubChem |
60027014 | NMRShiftDB |
9143 | ChEBI |
LK279ER14X | FDA SRS |
PD054507 | ProbesDrugs |
CHEMBL130493 | ChEMBL |
C08717 | KEGG Ligand |
30512696 | eMolecules |
The data in this table is sourced from UniChem at EBI. |