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
4
Annotation Hits

43
References

248
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.