Cyanidin-3-O-sambubioside-5-O-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308842
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308842 contains the MS2 mass spectrum of Cyanidin-3-O-sambubioside-5-O-glucoside with the InChIkey OLBLWNPOURNBCY-UHFFFAOYSA-O.
Chemical Info
| InChI | InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1 |
|---|---|
| SMILES | OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O |
| InChI Key | OLBLWNPOURNBCY-UHFFFAOYSA-O |
| Molecular Formula | [C32H39O20]+ |
| Exact Mass | 743.644 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 | 752cb042-fd95-44f0-aaca-fd583f3d805e |
| Package id | msbnk-riken-pr308842 |
| Resource type | HTML |
| State | active |