CID 21676283

Quercetin 3-apiosyl-(1->2)-alpha-l-arabinopyranoside

Structural Information

Molecular Formula
C25H26O15
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O
InChI
InChI=1S/C25H26O15/c26-7-25(35)8-37-24(22(25)34)40-21-17(32)14(31)6-36-23(21)39-20-18(33)16-13(30)4-10(27)5-15(16)38-19(20)9-1-2-11(28)12(29)3-9/h1-5,14,17,21-24,26-32,34-35H,6-8H2/t14-,17-,21+,22-,23-,24-,25+/m0/s1
InChIKey
FOENAQXATBLGSL-LVNOGPFZSA-N
Compound name
3-[(2S,3R,4S,5S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.1272 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.13448 226.7
[M+Na]+ 589.11642 231.1
[M-H]- 565.11992 223.7
[M+NH4]+ 584.16102 228.6
[M+K]+ 605.09036 230.5
[M+H-H2O]+ 549.12446 218.6
[M+HCOO]- 611.12540 230.6
[M+CH3COO]- 625.14105 234.8
[M+Na-2H]- 587.10187 245.5
[M]+ 566.12665 234.6
[M]- 566.12775 234.6
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.