Cyanidine-3-O-sambubioside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303183
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303183 contains the MS2 mass spectrum of Cyanidine-3-O-sambubioside with the InChIkey ZPPQIOUITZSYAO-AOBOYTTNSA-O.
Source: Cyanidine-3-O-sambubioside
Chemical Info
| InChI | InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1 |
|---|---|
| SMILES | OC[C@H]1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| InChI Key | ZPPQIOUITZSYAO-AOBOYTTNSA-O |
| Molecular Formula | [C26H29O15]+ |
| Exact Mass | 581.503 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 | dac6de6e-a247-4828-b926-e9ad5fbdd753 |
| Package id | msbnk-riken-pr303183 |
| Resource type | HTML |
| State | active |