Pectolinarin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01609
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01609 contains the MS2 mass spectrum of Pectolinarin with the InChIkey DUXQKCCELUKXOE-UHFFFAOYSA-N.
Source: Pectolinarin
Chemical Info
| InChI | InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O |
| InChI Key | DUXQKCCELUKXOE-UHFFFAOYSA-N |
| Molecular Formula | C29H34O15 |
| Exact Mass | 622.190 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | e228c75a-3bd5-425d-9f69-bddc07754668 |
| Package id | msbnk-washington_state_univ-bml01609 |
| Resource type | HTML |
| State | active |