3-hydroxy-glabrol, 4H-1-Benzopyran-4-one,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM019134
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM019134 contains the MS2 mass spectrum of 3-hydroxy-glabrol, 4H-1-Benzopyran-4-one,...
Chemical Info
| InChI | InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,23-24,26-27,29H,7,9H2,1-4H3/t23-,24+/m0/s1 |
|---|---|
| SMILES | CC(C)=CCc1cc([C@H]2Oc3c(ccc(O)c3CC=C(C)C)C(=O)[C@@H]2O)ccc1O |
| InChI Key | LAQLCZKPJGMFRM-BJKOFHAPSA-N |
| Molecular Formula | C25H28O5 |
| Exact Mass | 408.494 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 | 91b93018-8240-4f50-b70d-d4ba58743eb3 |
| Package id | msbnk-riken_respect-pm019134 |
| Resource type | HTML |
| State | active |