Ginsenoside Re
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308681
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308681 contains the MS2 mass spectrum of Ginsenoside Re with the InChIkey PWAOOJDMFUQOKB-UHFFFAOYSA-N.
Source: Ginsenoside Re
Chemical Info
| InChI | InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3 |
|---|---|
| SMILES | CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O |
| InChI Key | PWAOOJDMFUQOKB-UHFFFAOYSA-N |
| Molecular Formula | C48H82O18 |
| Exact Mass | 947.166 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 | 372a1efa-4262-453a-8dbf-00dea743d63e |
| Package id | msbnk-riken-pr308681 |
| Resource type | HTML |
| State | active |