CID 75069229

B-d-glucuronopyranosyl-(1->3)-a-d-galacturonopyranosyl-(1->2)-l-rhamnose

Structural Information

Molecular Formula
C18H28O17
SMILES
CC1C(C(C(C(O1)O)OC2C(C(C(C(O2)C(=O)O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O)O
InChI
InChI=1S/C18H28O17/c1-2-3(19)5(21)13(16(30)31-2)35-18-9(25)10(8(24)12(34-18)15(28)29)32-17-7(23)4(20)6(22)11(33-17)14(26)27/h2-13,16-25,30H,1H3,(H,26,27)(H,28,29)
InChIKey
ZQXWNXNNCNMCTA-UHFFFAOYSA-N
Compound name
6-[2-carboxy-3,5-dihydroxy-6-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

516.1326 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.13988 211.9
[M+Na]+ 539.12182 211.7
[M+NH4]+ 534.16642 211.3
[M+K]+ 555.09576 217.3
[M-H]- 515.12532 203.9
[M+Na-2H]- 537.10727 231.5
[M]+ 516.13205 209.1
[M]- 516.13315 209.1
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.