Atranone B
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000919
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000919 contains the MS2 mass spectrum of Atranone B with the InChIkey BDGOANHBKYFDGC-KTGRICDKSA-N.
Source: Atranone B
Chemical Info
| InChI | InChI=1S/C25H34O7/c1-12(2)16-15-9-8-13(3)20-17-18(25(6,28)31-20)22(26)30-19(17)14(4)10-11-24(15,5)32-23(27)21(16)29-7/h8,12,15,17-18,20,28H,9-11H2,1-7H3/b13-8-,19-14+/t15-,17+,18-,20-,24+,25-/m0/s1 |
|---|---|
| SMILES | C/C1=C2[C@H]3[C@H]([C@@](C)(O)O[C@H]3/C(C)=C\C[C@H]4C(C(C)C)=C(OC)C(O[C@]4(C)CC1)=O)C(O/2)=O |
| InChI Key | BDGOANHBKYFDGC-KTGRICDKSA-N |
| Molecular Formula | C25H34O7 |
| Exact Mass | 446.230 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 3794d047-a380-47ba-90a9-2fa4fddb52e0 |
| Package id | msbnk-aafc-ac000919 |
| Resource type | HTML |
| State | active |