Sumaresinolic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82228
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML82228 contains the MS mass spectrum of Sumaresinolic acid with the InChIkey KLHSKTMVSOWVLD-UHFFFAOYSA-N.
Source: Sumaresinolic acid
Chemical Info
| InChI | InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34) |
|---|---|
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(C5(C)C)O)C)O)C)C2C1)C)C(=O)O)C |
| InChI Key | KLHSKTMVSOWVLD-UHFFFAOYSA-N |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.355 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 | 45ed6f00-ced0-4356-87f6-92df7c488cd0 |
| Package id | msbnk-washington_state_univ-bml82228 |
| Resource type | HTML |
| State | active |