Neohesperidin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003654
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003654 contains the MS2 mass spectrum of Neohesperidin with the InChIkey ARGKVCXINMKCAZ-UZRWAPQLSA-N.
Source: Neohesperidin
Chemical Info
| InChI | InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
|---|---|
| SMILES | C(C1(C(C(C(C(O1)(OC2(C(C(C(OC2(OC=3C(=C(C4=C(C3[H])OC(C(C4=O)([H])[H])(C=5C(=C(C(=C(C5[H])O[H])OC([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 | ARGKVCXINMKCAZ-UZRWAPQLSA-N |
| Molecular Formula | C28H34O15 |
| Exact Mass | 610.190 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 | fcf51679-c522-4a79-89f9-af037401a87c |
| Package id | msbnk-bs-bs003654 |
| Resource type | HTML |
| State | active |