CID 44258970

Kaempferol 3-(3''-acetyl-alpha-l-arabinofuranoside)-7-rhamnoside

Structural Information

Molecular Formula
C28H30O15
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)OC(=O)C)O)C5=CC=C(C=C5)O)O)O)O)O
InChI
InChI=1S/C28H30O15/c1-10-19(33)21(35)22(36)27(38-10)40-14-7-15(32)18-16(8-14)41-24(12-3-5-13(31)6-4-12)26(20(18)34)43-28-23(37)25(39-11(2)30)17(9-29)42-28/h3-8,10,17,19,21-23,25,27-29,31-33,35-37H,9H2,1-2H3/t10-,17-,19-,21+,22+,23+,25-,27-,28-/m0/s1
InChIKey
MNRMSQIWNSFWSH-DQURVDMQSA-N
Compound name
[(2S,3R,4R,5S)-4-hydroxy-5-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-2-(hydroxymethyl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.15845 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.16573 240.2
[M+Na]+ 629.14767 244.2
[M-H]- 605.15117 238.2
[M+NH4]+ 624.19227 242.2
[M+K]+ 645.12161 242.7
[M+H-H2O]+ 589.15571 231.8
[M+HCOO]- 651.15665 244.0
[M+CH3COO]- 665.17230 247.9
[M+Na-2H]- 627.13312 259.5
[M]+ 606.15790 250.8
[M]- 606.15900 250.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.