Neohesperidin dihydrochalcone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003657
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003657 contains the MS2 mass spectrum of Neohesperidin dihydrochalcone with the InChIkey ITVGXXMINPYUHD-CUVHLRMHSA-N.
Source: Neohesperidin dihydrochalcone
Chemical Info
| InChI | InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
|---|---|
| SMILES | C(C1(C(C(C(C(O1)(OC2(C(C(C(OC2(OC3=C(C(=C(C(=C3[H])O[H])C(=O)C(C(C4=C(C(=C(C(=C4[H])[H])OC([H])([H])[H])O[H])[H])([H])[H])([H])[H])O[H])[H])[H])(C(O[H])([H])[H])[H])(O[H])[H])(O[H])[H])[H])[H])(O[H])[H])(O[H])[H])(O[H])[H])[H])([H])([H])[H] |
| InChI Key | ITVGXXMINPYUHD-CUVHLRMHSA-N |
| Molecular Formula | C28H36O15 |
| Exact Mass | 612.205 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 | 491e6125-9d28-45df-a60c-d46c56805ac1 |
| Package id | msbnk-bs-bs003657 |
| Resource type | HTML |
| State | active |