Medicagenic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003802
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003802 contains the MS2 mass spectrum of Medicagenic acid with the InChIkey IDGXIXSKISLYAC-WNTKNEGGSA-N.
Source: Medicagenic acid
Chemical Info
| InChI | InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1 |
|---|---|
| SMILES | C([C@@]12C(C([C@]3([H])[C@@]([C@@]1([H])C(C(=C4[C@]2(C(C([C@@]5([C@@]4([H])C(C(C(C5([H])[H])([H])[H])(C([H])([H])[H])C([H])([H])[H])([H])[H])C(=O)O[H])([H])[H])([H])[H])C([H])([H])[H])[H])([H])[H])(C([C@@]([H])([C@@]([H])([C@@]3(C([H])([H])[H])C(=O)O[H])O[H])O[H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])([H])([H])[H] |
| InChI Key | IDGXIXSKISLYAC-WNTKNEGGSA-N |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329 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 | 6c01f20a-1044-48ce-a1b8-e134c16b1b30 |
| Package id | msbnk-bs-bs003802 |
| Resource type | HTML |
| State | active |