Scaposin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003675
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003675 contains the MS2 mass spectrum of Scaposin with the InChIkey NYKXAPFHNLNAIJ-UHFFFAOYSA-N.
Source: Scaposin
Chemical Info
| InChI | InChI=1S/C19H18O9/c1-24-12-6-8(5-10(21)16(12)25-2)11-7-9(20)13-14(22)18(26-3)15(23)19(27-4)17(13)28-11/h5-7,21-23H,1-4H3 |
|---|---|
| SMILES | O=C1C=2C(OC(=C1[H])C=3C(=C(O[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C3[H])[H])=C(OC([H])([H])[H])C(O[H])=C(OC([H])([H])[H])C2O[H] |
| InChI Key | NYKXAPFHNLNAIJ-UHFFFAOYSA-N |
| Molecular Formula | C19H18O9 |
| Exact Mass | 390.095 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 | fd59ad3f-8d49-4bac-9665-5ad527dc6b6c |
| Package id | msbnk-bs-bs003675 |
| Resource type | HTML |
| State | active |