CID 157009869

Kaempferol 3-o-beta-d-xylofuranosyl-(1->2)-galactopyranoside

Structural Information

Molecular Formula
C26H28O15
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C26H28O15/c27-7-14-17(32)20(35)24(41-25-21(36)18(33)15(8-28)38-25)26(39-14)40-23-19(34)16-12(31)5-11(30)6-13(16)37-22(23)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-21,24-33,35-36H,7-8H2/t14-,15-,17+,18+,20+,21-,24-,25+,26+/m1/s1
InChIKey
YLUNEKLPLRMSOS-JLSVGCCNSA-N
Compound name
3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.1428 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.15008 233.6
[M+Na]+ 603.13202 237.7
[M-H]- 579.13552 230.2
[M+NH4]+ 598.17662 235.4
[M+K]+ 619.10596 238.0
[M+H-H2O]+ 563.14006 225.7
[M+HCOO]- 625.14100 237.2
[M+CH3COO]- 639.15665 241.3
[M+Na-2H]- 601.11747 252.3
[M]+ 580.14225 241.8
[M]- 580.14335 241.8
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.