Chrysanthellin B
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305307
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305307 contains the MS2 mass spectrum of Chrysanthellin B with the InChIkey WNGIVKPPGCCJNP-UHFFFAOYSA-N.
Source: Chrysanthellin B
Chemical Info
| InChI | InChI=1S/C58H94O26/c1-23-34(64)37(67)40(70)48(77-23)82-45-28(62)21-75-47(43(45)73)81-44-24(2)78-49(42(72)39(44)69)83-46-35(65)27(61)20-76-51(46)84-52(74)58-16-15-53(3,4)17-26(58)25-9-10-31-54(5)13-12-33(80-50-41(71)38(68)36(66)29(19-59)79-50)55(6,22-60)30(54)11-14-56(31,7)57(25,8)18-32(58)63/h9,23-24,26-51,59-73H,10-22H2,1-8H3 |
|---|---|
| SMILES | CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(O)COC4OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5O)C(O)C3O)C2O)C(O)C(O)C1O |
| InChI Key | WNGIVKPPGCCJNP-UHFFFAOYSA-N |
| Molecular Formula | C58H94O26 |
| Exact Mass | 1207.364 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 | b0345d51-8e1b-41ae-a40f-308e551f8ac4 |
| Package id | msbnk-riken-pr305307 |
| Resource type | HTML |
| State | active |