Austin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000831
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000831 contains the MS2 mass spectrum of Austin with the InChIkey DEMDOYQPCDXCEB-WLEVADLXSA-N.
Source: Austin
Chemical Info
| InChI | InChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m0/s1 |
|---|---|
| SMILES | C[C@H]1[C@@]2(C(=O)O[C@]3([C@@H](C4=C([C@]5(CC[C@]4([C@@]2(C3=C)C(=O)O1)C)C=CC(=O)OC5(C)C)C)OC(=O)C)C)O |
| InChI Key | DEMDOYQPCDXCEB-WLEVADLXSA-N |
| Molecular Formula | C27H32O9 |
| Exact Mass | 500.205 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 | 31e29451-c88d-4913-b37c-6c4891f4e504 |
| Package id | msbnk-aafc-ac000831 |
| Resource type | HTML |
| State | active |