Delphinidin-3-O-sambubioside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306730
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR306730 contains the MS2 mass spectrum of Delphinidin-3-O-sambubioside with the InChIkey TWYYVOVDSNRIJM-UHFFFAOYSA-O.
Source: Delphinidin-3-O-sambubioside
Chemical Info
| InChI | InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1 |
|---|---|
| SMILES | OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O |
| InChI Key | TWYYVOVDSNRIJM-UHFFFAOYSA-O |
| Molecular Formula | [C26H29O16]+ |
| Exact Mass | 597.502 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 | 803c0c85-5dca-4573-8045-d73366749b4a |
| Package id | msbnk-riken-pr306730 |
| Resource type | HTML |
| State | active |