Icariin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01818
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01818 contains the MS2 mass spectrum of Icariin with the InChIkey TZJALUIVHRYQQB-XLRXWWTNSA-N.
Source: Icariin
Chemical Info
| InChI | InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O |
| InChI Key | TZJALUIVHRYQQB-XLRXWWTNSA-N |
| Molecular Formula | C33H40O15 |
| Exact Mass | 676.237 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 | 99b548f6-6173-437a-9cae-5bcc3bca3add |
| Package id | msbnk-washington_state_univ-bml01818 |
| Resource type | HTML |
| State | active |