Cochlioquinone A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00545
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00545 contains the MS2 mass spectrum of Cochlioquinone A with the InChIkey MERDNJKHMKQNFC-PGCPQKQNSA-N.
Source: Cochlioquinone A
Chemical Info
| InChI | InChI=1S/C30H44O8/c1-9-14(2)26(36-17(5)31)16(4)18-13-19(32)22-25(34)23-27(38-28(22)24(18)33)15(3)12-21-30(23,8)11-10-20(37-21)29(6,7)35/h13-16,20-21,23,25-27,34-35H,9-12H2,1-8H3/t14-,15-,16-,20+,21+,23?,25?,26+,27?,30-/m0/s1 |
|---|---|
| SMILES | [C@@H]([C@@H](C)c(c4=O)cc(c(c41)C(C([C@@]32C)C([C@@H](C)C[C@]([H])2O[C@H](CC3)[C@](C)(C)O)O1)O)=O)([C@@H](C)CC)OC(C)=O |
| InChI Key | MERDNJKHMKQNFC-PGCPQKQNSA-N |
| Molecular Formula | C30H44O8 |
| Exact Mass | 532.304 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 | 5747cbac-0c6f-4944-ba49-8b34c6be4fd5 |
| Package id | msbnk-fiocruz-fio00545 |
| Resource type | HTML |
| State | active |