D-Raffinose
1505
Reference
D-Raffinose Structure
Systematic / IUPAC Name: β-D-Fructofuranosyl α-D-galactopyranosyl-(1->6)-α-D-glucopyranoside
ID: Reference1505
Other Names:
Raffinose;
Gossypose;
Melitose;
Melitriose;
D-(+)-Raffinose
Formula: C18H32O16
Class: Endogenous Metabolites
Spectral Data
D-Raffinose 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 | 2 |
| No. of Spectra | 637 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 4/4/2017 11:35:22 AM |
Identificators
| InChI | InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1 |
| InChI Key | MUPFEKGTMRGPLJ-ZQSKZDJDSA-N |
| Canonical SMILES | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O |
| CAS | 512696 |
| Splash | |
| Other Names |
Raffinose; Gossypose; Melitose; Melitriose; D-(+)-Raffinose; O-α-D-Galactopyranosyl(1,6)-O-α-D-glucopyranosyl-(1,2)-β-D-fructofuranoside |
In Other Databases
| ChemSpider | 388379 |
| KEGG | C00492 |
| ChEMBL | CHEMBL603717 |
| Wikipedia | Raffinose |
| PubChem | 439242 |
| ChEBI | CHEBI:16634 |