Hederacoside C
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305399
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305399 contains the MS2 mass spectrum of Hederacoside C with the InChIkey RYHDIBJJJRNDSX-UHFFFAOYSA-N.
Source: Hederacoside C
Chemical Info
| InChI | InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3 |
|---|---|
| SMILES | CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O |
| InChI Key | RYHDIBJJJRNDSX-UHFFFAOYSA-N |
| Molecular Formula | C59H96O26 |
| Exact Mass | 1221.391 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 | a0a67c20-e8b0-438b-8b15-743b6a3a50e6 |
| Package id | msbnk-riken-pr305399 |
| Resource type | HTML |
| State | active |