CID 3084570

Cyanidin 3-o-[beta-d-xylosyl-(1->2)-beta-d-galactoside](1-)

Structural Information

Molecular Formula
C26H28O15
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,29-36H,7-8H2/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKey
UOMBLELASYPGOH-AOBOYTTNSA-N
Compound name
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

580.1428 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.15008 230.3
[M+Na]+ 603.13202 231.0
[M+NH4]+ 598.17662 230.2
[M+K]+ 619.10596 236.7
[M-H]- 579.13552 223.7
[M+Na-2H]- 601.11747 249.0
[M]+ 580.14225 228.2
[M]- 580.14335 228.2
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.