Amorphigenin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00231
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00231 contains the MS2 mass spectrum of Amorphigenin with the InChIkey ZJMLELXRQUXRIU-HBGVWJBISA-N.
Source: Amorphigenin
Chemical Info
| InChI | InChI=1S/C23H22O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,20-21,24H,1,7,9-10H2,2-3H3/t16-,20-,21+/m1/s1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)[C@H]3[C@@H](CO2)OC4=C(C3=O)C=CC5=C4C[C@@H](O5)C(=C)CO)OC |
| InChI Key | ZJMLELXRQUXRIU-HBGVWJBISA-N |
| Molecular Formula | C23H22O7 |
| Exact Mass | 410.137 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 | 117bdeb5-9bfb-4610-909b-4d8b6b4982a6 |
| Package id | msbnk-washington_state_univ-bml00231 |
| Resource type | HTML |
| State | active |