Haploperozide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01547
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01547 contains the MS2 mass spectrum of Haploperozide with the InChIkey LLQBCHODNVGKSF-UHFFFAOYSA-N.
Source: Haploperozide
Chemical Info
| InChI | InChI=1S/C28H38O17/c1-9-17(30)20(33)23(36)26(40-9)39-8-15-19(32)22(35)25(45-27-24(37)21(34)18(31)10(2)41-27)28(44-15)43-14-7-12-11(6-13(14)38-3)4-5-16(29)42-12/h4-7,9-10,15,17-28,30-37H,8H2,1-3H3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)OC5C(C(C(C(O5)C)O)O)O)O)O)O)O)O |
| InChI Key | LLQBCHODNVGKSF-UHFFFAOYSA-N |
| Molecular Formula | C28H38O17 |
| Exact Mass | 646.211 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 | 01dd8ff5-86c9-46ed-ac40-4490bc1b2067 |
| Package id | msbnk-washington_state_univ-bml01547 |
| Resource type | HTML |
| State | active |