Rugulosin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000568
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000568 contains the MS2 mass spectrum of Rugulosin with the InChIkey QFDPVUTXKUGISP-NVWQCAADSA-N.
Source: Rugulosin
Chemical Info
| InChI | InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3/t15?,16?,19-,20-,23?,24?,29-,30-/m1/s1 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=O)[C@]34[C@@H]5C(C6C3C([C@@H]([C@]67C(=C(C8=C(C=C(C=C8C7=O)C)O)O)C5=O)C(=O)C4=C2O)O)O)O |
| InChI Key | QFDPVUTXKUGISP-NVWQCAADSA-N |
| Molecular Formula | C30H22O10 |
| Exact Mass | 542.121 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | f9688119-67e7-4f93-9749-113c77eff556 |
| Package id | msbnk-aafc-ac000568 |
| Resource type | HTML |
| State | active |