Dataset
1,2-Di-O-sinapoyl-beta-D-glucose
Chemical Info
InChI | InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3/b7-5+,8-6+/t20-,25-,26+,27-,28+/m1/s1 |
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SMILES | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)CO)O)O |
InChI Key | KQDOTXAUJBODDM-STUNQXDBSA-N |
Molecular Formula | C28H32O14 |
Exact Mass | 592.179 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2012-SMI00021 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:41:51.611346 |
MetadataModified | 2024-01-11T12:41:51.763239 |
MetadataPublished | 2012-08-31 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |