Orobole 7-O-Glucoside, Acetate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01630
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01630 contains the MS2 mass spectrum of Orobole 7-O-Glucoside, Acetate with the InChIkey WSMQBJMPWPNLTJ-UHFFFAOYSA-N.
Source: Orobole 7-O-Glucoside, Acetate
Chemical Info
| InChI | InChI=1S/C35H34O18/c1-15(36)44-14-29-32(49-19(5)40)33(50-20(6)41)34(51-21(7)42)35(53-29)52-23-11-27-30(28(12-23)48-18(4)39)31(43)24(13-45-27)22-8-9-25(46-16(2)37)26(10-22)47-17(3)38/h8-13,29,32-35H,14H2,1-7H3 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI Key | WSMQBJMPWPNLTJ-UHFFFAOYSA-N |
| Molecular Formula | C35H34O18 |
| Exact Mass | 742.175 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 | a238a64e-d124-4e91-9f5e-9daa9bbec122 |
| Package id | msbnk-washington_state_univ-bml01630 |
| Resource type | HTML |
| State | active |