4'-O-(2'-Z-Feruloyl GluA(1-2)GluA) Apigenin (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001092
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001092 contains the MS2 mass spectrum of 4'-O-(2'-Z-Feruloyl GluA(1-2)GluA) Apigenin (NMR) with the InChIkey LNCLTICCQWMCNS-LDTVNHGTSA-N.
Chemical Info
| InChI | InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3-/t26-,27-,28-,29-,30-,31-,32+,33+,36+,37-/m0/s1 |
|---|---|
| SMILES | C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O[C@@H]4O[C@H](C(=O)O)[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O5)O)O)OC(/C=C\C6=CC(OC)=C(C=C6)O)=O)O)O)O)O |
| InChI Key | LNCLTICCQWMCNS-LDTVNHGTSA-N |
| Molecular Formula | C37H34O20 |
| Exact Mass | 798.164 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | c8cf7acf-3135-4e88-a15b-165adf11fd30 |
| Package id | msbnk-bs-bs001092 |
| Resource type | HTML |
| State | active |