Fortunellin, Acac-7-Glc-2pp-Man,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS084712
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS084712 contains the MS2 mass spectrum of Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside with the InChIkey...
Source: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside
Chemical Info
| InChI | InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O |
| InChI Key | MLWDGPFGTFOLRJ-UHFFFAOYSA-N |
| Molecular Formula | C28H32O14 |
| Exact Mass | 592.550 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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 50cbc0e7-3f8b-48aa-aba6-fd0abe5966fa |
| Package id | msbnk-riken_respect-ps084712 |
| Resource type | HTML |
| State | active |