CID 44259231

Quercetin 3-xylosyl-(1->2)-alpha-l-arabinofuranoside

Structural Information

Molecular Formula
C25H26O15
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O
InChI
InChI=1S/C25H26O15/c26-6-15-18(33)23(40-24-20(35)17(32)13(31)7-36-24)25(38-15)39-22-19(34)16-12(30)4-9(27)5-14(16)37-21(22)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20,23-33,35H,6-7H2/t13-,15+,17+,18+,20-,23-,24+,25+/m1/s1
InChIKey
ZUPASDOWHXCIHQ-BNUMRELZSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.1272 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.13448 230.9
[M+Na]+ 589.11642 234.9
[M-H]- 565.11992 227.5
[M+NH4]+ 584.16102 232.6
[M+K]+ 605.09036 235.4
[M+H-H2O]+ 549.12446 223.0
[M+HCOO]- 611.12540 234.6
[M+CH3COO]- 625.14105 238.7
[M+Na-2H]- 587.10187 249.5
[M]+ 566.12665 238.9
[M]- 566.12775 238.9
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.