CID 131752681

Geranyl arabinopyranosyl-glucoside

Structural Information

Molecular Formula
C21H36O10
SMILES
CC(=CCC/C(=C\COC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)/C)C
InChI
InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-
InChIKey
IEGFOTASSBZIBZ-GHXNOFRVSA-N
Compound name
2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

26
Patents

448.23083 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.238106 207.8
[M+Na]+ 471.220048 207.8
[M-H]- 447.223554 206.1
[M+NH4]+ 466.264653 210.1
[M+K]+ 487.193988 207.6
[M+H-H2O]+ 431.228090 200.6
[M+HCOO]- 493.229031 210.2
[M+CH3COO]- 507.244681 224.0
[M+Na-2H]- 469.205496 200.0
[M]+ 448.23028142 206.1
[M]- 448.23137858 206.1
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.