Genistein -7-O-Glc-Xyl, Acetate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01615
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01615 contains the MS2 mass spectrum of Genistein -7-O-Glc-Xyl, Acetate with the InChIkey PWNURKDPPRSGQU-UHFFFAOYSA-N.
Source: Genistein -7-O-Glc-Xyl, Acetate
Chemical Info
| InChI | InChI=1S/C42H44O22/c1-18(43)55-27-11-9-26(10-12-27)29-15-52-30-13-28(14-31(56-19(2)44)34(30)35(29)51)63-42-40(62-25(8)50)38(60-23(6)48)36(58-21(4)46)33(64-42)17-54-41-39(61-24(7)49)37(59-22(5)47)32(16-53-41)57-20(3)45/h9-15,32-33,36-42H,16-17H2,1-8H3 |
|---|---|
| SMILES | CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC=C(C4=O)C5=CC=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI Key | PWNURKDPPRSGQU-UHFFFAOYSA-N |
| Molecular Formula | C42H44O22 |
| Exact Mass | 900.232 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 | 063ca554-1cbd-43f6-b37b-48a943175744 |
| Package id | msbnk-washington_state_univ-bml01615 |
| Resource type | HTML |
| State | active |