CID 131752213

Eugenol o-[a-l-arabinofuranosyl-(1->6)-b-d-glucopyranoside]

Structural Information

Molecular Formula
C21H30O11
SMILES
COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(C(O3)CO)O)O)O)O)O
InChI
InChI=1S/C21H30O11/c1-3-4-10-5-6-11(12(7-10)28-2)30-21-19(27)17(25)16(24)14(32-21)9-29-20-18(26)15(23)13(8-22)31-20/h3,5-7,13-27H,1,4,8-9H2,2H3
InChIKey
VLKZOKSLKIEMBT-UHFFFAOYSA-N
Compound name
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1788 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18608 203.5
[M+Na]+ 481.16802 206.5
[M-H]- 457.17152 206.7
[M+NH4]+ 476.21262 207.2
[M+K]+ 497.14196 206.4
[M+H-H2O]+ 441.17606 196.6
[M+HCOO]- 503.17700 211.1
[M+CH3COO]- 517.19265 224.9
[M+Na-2H]- 479.15347 198.1
[M]+ 458.17825 205.8
[M]- 458.17935 205.8
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.