Liquiritin apioside, 4H-1-Benzopyran-4-one,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM019120
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM019120 contains the MS2 mass spectrum of Liquiritin apioside, 4H-1-Benzopyran-4-one,...
Chemical Info
| InChI | InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1 |
|---|---|
| SMILES | O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc2)Oc2cc(O)ccc21 |
| InChI Key | FTVKHUHJWDMWIR-DWMQJYMWSA-N |
| Molecular Formula | C26H30O13 |
| Exact Mass | 550.513 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 | 2727cabc-33d0-439a-a8e2-7799d7eb4ea6 |
| Package id | msbnk-riken_respect-pm019120 |
| Resource type | HTML |
| State | active |