Dataset
Sophoricoside
Chemical Info
InChI | InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2 |
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SMILES | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
InChI Key | ISQRJFLLIDGZEP-UHFFFAOYSA-N |
Molecular Formula | C21H20O10 |
Exact Mass | 432.106 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-Washington_State_Univ-BML82200 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:34.574141 |
MetadataModified | 2024-01-11T22:27:34.727605 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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MCULE-3711623788 | Mcule |
6078194 | PubChem |
HMDB0252680 | Human Metabolome Database |
PD056726 | ProbesDrugs |
60075536 | NMRShiftDB |
3363737 | eMolecules |
The data in this table is sourced from UniChem at EBI. |