Naringin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003382
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003382 contains the MS2 mass spectrum of Naringin with the InChIkey DFPMSGMNTNDNHN-ZPHOTFPESA-N.
Source: Naringin
Chemical Info
| InChI | InChI=1S/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
|---|---|
| SMILES | C([C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])([C@@]([H])(O1)O[C@]2([H])[C@]([H])([C@@]([H])([C@]([H])(O[C@@]2([H])OC3=C(C(=C4C(=O)C([C@]([H])(OC4=C3[H])C5=C(C(=C(C(=C5[H])[H])O[H])[H])[H])([H])[H])O[H])[H])C(O[H])([H])[H])O[H])O[H])O[H])O[H])O[H])([H])([H])[H] |
| InChI Key | DFPMSGMNTNDNHN-ZPHOTFPESA-N |
| Molecular Formula | C27H32O14 |
| Exact Mass | 580.179 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 | 0ec02d59-63ef-403f-a52a-70adf241021f |
| Package id | msbnk-bs-bs003382 |
| Resource type | HTML |
| State | active |