CID 611513

Marmesin galactoside

Structural Information

Molecular Formula
C20H24O9
SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3
InChIKey
HXCGUCZXPFBNRD-UHFFFAOYSA-N
Compound name
2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

561
Patents

408.14203 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14931 190.8
[M+Na]+ 431.13125 197.1
[M-H]- 407.13475 196.4
[M+NH4]+ 426.17585 198.8
[M+K]+ 447.10519 197.8
[M+H-H2O]+ 391.13929 185.5
[M+HCOO]- 453.14023 198.5
[M+CH3COO]- 467.15588 218.4
[M+Na-2H]- 429.11670 193.6
[M]+ 408.14148 194.4
[M]- 408.14258 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe