Rhoifolin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00229
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00229 contains the MS2 mass spectrum of Rhoifolin with the InChIkey RPMNUQRUHXIGHK-PYXJVEIZSA-N.
Source: Rhoifolin
Chemical Info
| InChI | InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
|---|---|
| SMILES | O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C=C(c(c2)ccc(O)c2)1)=O |
| InChI Key | RPMNUQRUHXIGHK-PYXJVEIZSA-N |
| Molecular Formula | C27H30O14 |
| Exact Mass | 578.164 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 | b53046d1-8511-45a0-afce-c048d030483c |
| Package id | msbnk-fiocruz-fio00229 |
| Resource type | HTML |
| State | active |