Thalsimine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300667
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300667 contains the MS2 mass spectrum of Thalsimine with the InChIkey YWNUNVSMOKMJMG-LJAQVGFWSA-N.
Source: Thalsimine
Chemical Info
| InChI | InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1 |
|---|---|
| SMILES | COC1=C2OC3=CC=C(CC4=NCCC5=CC(OC)=C(OC6=C(OC)C(OC)=C(OC)C7=C6[C@H](CC(C=C1)=C2)N(C)CC7)C=C45)C=C3 |
| InChI Key | YWNUNVSMOKMJMG-LJAQVGFWSA-N |
| Molecular Formula | C38H40N2O7 |
| Exact Mass | 636.745 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 | 7c4afdca-f2b1-41fb-960d-6ff1e9097710 |
| Package id | msbnk-riken-pr300667 |
| Resource type | HTML |
| State | active |