Canthaxanthine, 4,4'-dioxo-beta-carotene,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS065305
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS065305 contains the MS2 mass spectrum of Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin,...
Chemical Info
| InChI | InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C |
| InChI Key | FDSDTBUPSURDBL-UHFFFAOYSA-N |
| Molecular Formula | C40H52O2 |
| Exact Mass | 564.854 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 | a17afe60-8e59-4d8a-b0d6-48ba6cc665a0 |
| Package id | msbnk-riken_respect-ps065305 |
| Resource type | HTML |
| State | active |