Nicotiflorine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00731
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00731 contains the MS2 mass spectrum of Nicotiflorine with the InChIkey RTATXGUCZHCSNG-QHWHWDPRSA-N.
Source: Nicotiflorine
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 | c(c5)(O)cc(c(c51)C(C(O[C@H](O3)[C@@H]([C@H]([C@@H]([C@H]3CO[C@@H]([C@@H]4O)O[C@H]([C@@H]([C@H]4O)O)C)O)O)O)=C(c(c2)ccc(O)c2)O1)=O)O |
| InChI Key | RTATXGUCZHCSNG-QHWHWDPRSA-N |
| Molecular Formula | C27H30O15 |
| Exact Mass | 594.158 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 4.0 International (CC BY-NC 4.0) |
| Id | 2edf79fd-65ac-4c82-8674-564d85dedb8e |
| Package id | msbnk-fiocruz-fio00731 |
| Resource type | HTML |
| State | active |