Dataset
Kaempferol-3-O-glucoside
Chemical Info
InChI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 |
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SMILES | C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])OC4(C(C(C(C(O4)(C(O[H])([H])[H])[H])(O[H])[H])(O[H])[H])(O[H])[H])[H])[H])[H])O[H])[H])[H] |
InChI Key | JPUKWEQWGBDDQB-QSOFNFLRSA-N |
Molecular Formula | C21H20O11 |
Exact Mass | 448.101 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-BS003476 |
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Author | |
Maintainer | |
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MetadataCreated | 2024-01-11T12:38:32.543483 |
MetadataModified | 2024-01-11T12:38:32.709320 |
MetadataPublished | 2017-12-01 |