CID 131751348

Isolariciresinol 9'-o-alpha-l-arabinofuranoside

Structural Information

Molecular Formula
C25H32O10
SMILES
COC1=C(C=C2C(C(C(CC2=C1)CO)COC3C(C(C(O3)CO)O)O)C4=CC(=C(C=C4)O)OC)O
InChI
InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3
InChIKey
HLTAJPBMZNNKMA-UHFFFAOYSA-N
Compound name
2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.19955 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.20683 216.8
[M+Na]+ 515.18877 225.1
[M+NH4]+ 510.23337 219.3
[M+K]+ 531.16271 224.8
[M-H]- 491.19227 218.9
[M+Na-2H]- 513.17422 215.0
[M]+ 492.19900 218.0
[M]- 492.20010 218.0
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.