Apiin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003825
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003825 contains the MS2 mass spectrum of Apiin with the InChIkey NTDLXWMIWOECHG-YRCFQSNFSA-N.
Source: Apiin
Chemical Info
| InChI | InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1 |
|---|---|
| SMILES | C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O |
| InChI Key | NTDLXWMIWOECHG-YRCFQSNFSA-N |
| Molecular Formula | C26H28O14 |
| Exact Mass | 564.148 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 | a4bf0f27-ef5b-4139-8ad5-45cd9d8457c6 |
| Package id | msbnk-bs-bs003825 |
| Resource type | HTML |
| State | active |