Verrucarin J
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000266
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000266 contains the MS2 mass spectrum of Verrucarin J with the InChIkey GXCGYHWSYNQVHU-UGAPSZEOSA-N.
Source: Verrucarin J
Chemical Info
| InChI | InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5+,18-13+/t19-,20-,21-,25-,26-,27+/m1/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCOC(=O)/C=C/C=C/C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)\C |
| InChI Key | GXCGYHWSYNQVHU-UGAPSZEOSA-N |
| Molecular Formula | C27H32O8 |
| Exact Mass | 484.210 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 | 22e97ef5-cf6d-4655-9437-693ea5b155f6 |
| Package id | msbnk-aafc-ac000266 |
| Resource type | HTML |
| State | active |