Silymarin 10.03 min
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003849
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003849 contains the MS2 mass spectrum of Silymarin 10.03 min with the InChIkey SEBFKMXJBCUCAI-WAABAYLZSA-N.
Source: Silymarin 10.03 min
Chemical Info
| InChI | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
| InChI Key | SEBFKMXJBCUCAI-WAABAYLZSA-N |
| Molecular Formula | C25H22O10 |
| Exact Mass | 482.121 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | bba4c704-63ab-48d2-b990-e7dea609dd1a |
| Package id | msbnk-bs-bs003849 |
| Resource type | HTML |
| State | active |