CID 5491390

Kaempferol 3-alpha-l-arabinofuranoside-7-rhamnoside

Structural Information

Molecular Formula
C26H28O14
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)O)O)C5=CC=C(C=C5)O)O)O)O)O
InChI
InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)25(36-9)37-12-6-13(29)16-14(7-12)38-23(10-2-4-11(28)5-3-10)24(19(16)32)40-26-21(34)18(31)15(8-27)39-26/h2-7,9,15,17-18,20-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,18-,20+,21+,22+,25-,26-/m0/s1
InChIKey
JIGYKOJSDSJFFW-RZWWUXCZSA-N
Compound name
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

564.1479 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.15518 232.5
[M+Na]+ 587.13712 236.9
[M-H]- 563.14062 229.3
[M+NH4]+ 582.18172 234.4
[M+K]+ 603.11106 236.7
[M+H-H2O]+ 547.14516 224.4
[M+HCOO]- 609.14610 236.3
[M+CH3COO]- 623.16175 240.4
[M+Na-2H]- 585.12257 251.4
[M]+ 564.14735 241.5
[M]- 564.14845 241.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.