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

1
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

patents stripe