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 213.3
[M+Na]+ 515.18877 217.2
[M-H]- 491.19227 217.2
[M+NH4]+ 510.23337 218.1
[M+K]+ 531.16271 215.8
[M+H-H2O]+ 475.19681 205.9
[M+HCOO]- 537.19775 221.0
[M+CH3COO]- 551.21340 233.2
[M+Na-2H]- 513.17422 208.0
[M]+ 492.19900 216.1
[M]- 492.20010 216.1
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.