Robinin

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Systematic / IUPAC Name: 7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside

ID: Reference3474

Other Names: Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose;
Kaempferol-3-O-gal-rham-7-O-rham;
Kaempferol-3-O-robinoside-7-O-rhamnoside;
Kaempherol-3-O-robinoside-7-O-rhamnoside;
3-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy}-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one ; more

Formula: C33H40O19

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Robinin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1685
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/8/2015 7:32:31 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1
InChI Key PEFASEPMJYRQBW-HKWQTAEVSA-N
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O
CAS 301199
Splash
Other Names Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose;
Kaempferol-3-O-gal-rham-7-O-rham;
Kaempferol-3-O-robinoside-7-O-rhamnoside;
Kaempherol-3-O-robinoside-7-O-rhamnoside;
3-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy}-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one ;
4H-1-Benzopyran-4-one, 3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy}-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- ;
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside

In Other Databases

ChemIDPlus 000301199
ChEBI CHEBI:8878
KEGG C10178
Wikipedia Robinin
ChemSpider 4445010
PubChem 5281693