Arctiin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308026
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308026 contains the MS2 mass spectrum of Arctiin with the InChIkey XOJVHLIYNSOZOO-UHFFFAOYSA-N.
Source: Arctiin
Chemical Info
| InChI | InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3 |
|---|---|
| SMILES | COC1=C(OC)C=C(CC2COC(=O)C2CC2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C=C1 |
| InChI Key | XOJVHLIYNSOZOO-UHFFFAOYSA-N |
| Molecular Formula | C27H34O11 |
| Exact Mass | 534.558 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 | 4d0022a5-b28c-4aae-abe8-46aded6ecb50 |
| Package id | msbnk-riken-pr308026 |
| Resource type | HTML |
| State | active |