Kaempferol-3-O-rutinoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003280
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003280 contains the MS2 mass spectrum of Kaempferol-3-O-rutinoside with the InChIkey RTATXGUCZHCSNG-QHWHWDPRSA-N.
Source: Kaempferol-3-O-rutinoside
Chemical Info
| InChI | InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
|---|---|
| SMILES | O(C=1C(=C(C(=C(C1[H])[H])C=2OC=3C(=C(O[H])C(=C(O[H])C3C(=O)C2O[C@]4([H])O[C@]([H])(C(O[C@@]5([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]5([H])O[H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[H])[H])[H])[H])[H] |
| InChI Key | RTATXGUCZHCSNG-QHWHWDPRSA-N |
| Molecular Formula | C27H30O15 |
| Exact Mass | 594.159 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 8258be8b-001d-43e3-a179-ada69964ed9b |
| Package id | msbnk-bs-bs003280 |
| Resource type | HTML |
| State | active |