Cercosporin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000542
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000542 contains the MS2 mass spectrum of Cercosporin with the InChIkey MXLWQNCWIIZUQT-GHMZBOCLSA-N.
Source: Cercosporin
Chemical Info
| InChI | InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3/t10-,11-/m1/s1 |
|---|---|
| SMILES | C[C@H](CC1=C(C(=C2C(=O)C=C3C4=C5C(=CC(=O)C6=C(C(=C(C(=C56)C1=C42)C[C@@H](C)O)OC)O)OCO3)O)OC)O |
| InChI Key | MXLWQNCWIIZUQT-GHMZBOCLSA-N |
| Molecular Formula | C29H26O10 |
| Exact Mass | 534.153 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 | 452a46cc-ff8b-47ce-870b-24720bd4cbc5 |
| Package id | msbnk-aafc-ac000542 |
| Resource type | HTML |
| State | active |