Atractylenolide III
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307301
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307301 contains the MS2 mass spectrum of Atractylenolide III with the InChIkey FBMORZZOJSDNRQ-UHFFFAOYSA-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 |
|---|---|
| SMILES | CC1=C2CC3C(=C)CCCC3(C)CC2(O)OC1=O |
| InChI Key | FBMORZZOJSDNRQ-UHFFFAOYSA-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 | d131c4d8-6b04-4984-9313-94e4ab923add |
| Package id | msbnk-riken-pr307301 |
| Resource type | HTML |
| State | active |