NP-000004(11)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303320
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303320 contains the MS2 mass spectrum of NP-000004(11) with the InChIkey TUIJPUWSXVFWSH-FBMRRHFKSA-N.
Source: NP-000004(11)
Chemical Info
| InChI | InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2/t12-,13+,17-,18+,21+,22-,23-,25?,26?/m1/s1 |
|---|---|
| SMILES | OC[C@@H]1OC([C@H](O)[C@H]1O)C1=C2OC(=CC(=O)C2=C(O)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O)C1=CC=C(O)C=C1 |
| InChI Key | TUIJPUWSXVFWSH-FBMRRHFKSA-N |
| Molecular Formula | C26H28O14 |
| Exact Mass | 564.496 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 | cd6300f0-2753-4db5-93e2-713aea65b559 |
| Package id | msbnk-riken-pr303320 |
| Resource type | HTML |
| State | active |