Chrysanthellin A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305282
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305282 contains the MS2 mass spectrum of Chrysanthellin A with the InChIkey IBEZGTWSSFFKNB-UHFFFAOYSA-N.
Source: Chrysanthellin A
Chemical Info
| InChI | InChI=1S/C58H94O25/c1-23-34(63)37(66)40(69)48(76-23)81-45-28(61)22-74-47(43(45)72)80-44-24(2)77-49(42(71)39(44)68)82-46-35(64)27(60)21-75-51(46)83-52(73)58-17-16-53(3,4)18-26(58)25-10-11-31-55(7)14-13-33(79-50-41(70)38(67)36(65)29(20-59)78-50)54(5,6)30(55)12-15-56(31,8)57(25,9)19-32(58)62/h10,23-24,26-51,59-72H,11-22H2,1-9H3 |
|---|---|
| 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)(C)C7CCC6(C)C4(C)CC5O)C(O)C3O)C2O)C(O)C(O)C1O |
| InChI Key | IBEZGTWSSFFKNB-UHFFFAOYSA-N |
| Molecular Formula | C58H94O25 |
| Exact Mass | 1191.365 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 | c4608115-34ad-4444-80df-d0d38685bf7c |
| Package id | msbnk-riken-pr305282 |
| Resource type | HTML |
| State | active |