Neodiosmin
3450
Reference
Neodiosmin Structure
Systematic / IUPAC Name: 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
ID: Reference3450
Other Names: 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
Formula: C28H32O15
Class: Endogenous Metabolites Excipients/Additives/Colorants
Spectral Data
Neodiosmin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1659 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 11/30/2015 1:49:40 PM |
Identificators
| InChI | InChI=1S/C28H32O15/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/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
| InChI Key | VCCNKWWXYVWTLT-CYZBKYQRSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O |
| CAS | 38665019 |
| Splash | |
| Other Names | 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- |