Atractylenolide III
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303499
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303499 contains the MS2 mass spectrum of Atractylenolide III with the InChIkey FBMORZZOJSDNRQ-GLQYFDAESA-N.
Source: Atractylenolide III
Chemical Info
| InChI | InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1 |
|---|---|
| SMILES | CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |
| InChI Key | FBMORZZOJSDNRQ-GLQYFDAESA-N |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.322 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 | fc941d61-ec04-474a-9b75-a6af80c878a9 |
| Package id | msbnk-riken-pr303499 |
| Resource type | HTML |
| State | active |