NP-006989(12)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303403
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303403 contains the MS2 mass spectrum of NP-006989(12) with the InChIkey ZLPSOQFIIQIIAX-FCSQLNSJSA-N.
Source: NP-006989(12)
Chemical Info
| InChI | InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13?,17-,18?,21+,22?,23-,24?,26+,27?/m1/s1 |
|---|---|
| SMILES | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C(C2OC(CO)C(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC(O)=C(O)C=C1 |
| InChI Key | ZLPSOQFIIQIIAX-FCSQLNSJSA-N |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.521 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 | e3c65e54-6a0c-4124-899a-9d12198dab65 |
| Package id | msbnk-riken-pr303403 |
| Resource type | HTML |
| State | active |