Anhydrocochlioquinone A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00769
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00769 contains the MS2 mass spectrum of Anhydrocochlioquinone A with the InChIkey CBLRPZZCLBREIA-YYRMTXNWSA-N.
Source: Anhydrocochlioquinone A
Chemical Info
| InChI | InChI=1S/C30H42O7/c1-9-15(2)26(35-18(5)31)17(4)19-14-22(32)20-13-21-27(37-28(20)25(19)33)16(3)12-24-30(21,8)11-10-23(36-24)29(6,7)34/h13-17,23-24,26-27,34H,9-12H2,1-8H3/t15-,16-,17-,23+,24+,26+,27?,30+/m0/s1 |
|---|---|
| SMILES | [C@](C2)([C@@]1(C)C(=C4)C(Oc(c43)c(=O)c(cc3=O)[C@H](C)[C@@H]([C@@H](C)CC)OC(C)=O)[C@H]2C)(O[C@@H]([C@](C)(C)O)CC1)[H] |
| InChI Key | CBLRPZZCLBREIA-YYRMTXNWSA-N |
| Molecular Formula | C30H42O7 |
| Exact Mass | 514.293 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 4.0 International (CC BY-NC 4.0) |
| Id | d21e2df2-8d98-4677-8e8c-0732290f630a |
| Package id | msbnk-fiocruz-fio00769 |
| Resource type | HTML |
| State | active |