Madecassoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305440
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305440 contains the MS2 mass spectrum of Madecassoside with the InChIkey BNMGUJRJUUDLHW-UHFFFAOYSA-N.
Source: Madecassoside
Chemical Info
| InChI | InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3 |
|---|---|
| SMILES | CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| InChI Key | BNMGUJRJUUDLHW-UHFFFAOYSA-N |
| Molecular Formula | C48H78O20 |
| Exact Mass | 975.132 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 | 11bdea50-a312-487a-ba1d-8c77e33c15c0 |
| Package id | msbnk-riken-pr305440 |
| Resource type | HTML |
| State | active |