Sanchinoside Re, Ginsenoside Re
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM004702
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM004702 contains the MS2 mass spectrum of Sanchinoside Re, Ginsenoside Re with the InChIkey PWAOOJDMFUQOKB-KWVBUYMASA-N.
Source: Sanchinoside Re, 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/t22-,23+,24-,25+,26-,27-,28-,29+,30?,31-,32-,33-,34+,35+,36+,37+,38-,39-,40?,41?,42?,43?,45-,46?,47-,48+/m1/s1 |
|---|---|
| SMILES | CC(C)=CCC[C@](C)(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CCC2(C)C1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)C[C@]12C |
| InChI Key | PWAOOJDMFUQOKB-KWVBUYMASA-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 4.0 International (CC BY-NC 4.0) |
| Id | 841bcd24-7fc3-4f25-ba58-44542d554c85 |
| Package id | msbnk-riken_respect-pm004702 |
| Resource type | HTML |
| State | active |