CID 157010014

Orsellinic acid 2-o-beta-d-glucoside

Structural Information

Molecular Formula
C14H18O9
SMILES
CC1=CC(=CC(=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C14H18O9/c1-5-2-6(16)3-7(9(5)13(20)21)22-14-12(19)11(18)10(17)8(4-15)23-14/h2-3,8,10-12,14-19H,4H2,1H3,(H,20,21)
InChIKey
AQLSLUZPCXWYQZ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0951 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10238 172.0
[M+Na]+ 353.08432 180.0
[M+NH4]+ 348.12892 174.4
[M+K]+ 369.05826 180.2
[M-H]- 329.08782 171.0
[M+Na-2H]- 351.06977 170.8
[M]+ 330.09455 172.2
[M]- 330.09565 172.2
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.