CID 131752856

Aloesol 7-glucoside

Structural Information

Molecular Formula
C19H24O9
SMILES
CC1=CC(=CC2=C1C(=O)C=C(O2)CC(C)O)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C19H24O9/c1-8-3-10(27-19-18(25)17(24)16(23)14(7-20)28-19)6-13-15(8)12(22)5-11(26-13)4-9(2)21/h3,5-6,9,14,16-21,23-25H,4,7H2,1-2H3
InChIKey
OUFZAUOJAQUDOD-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropyl)-5-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.14203 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14931 190.7
[M+Na]+ 419.13125 197.0
[M-H]- 395.13475 193.6
[M+NH4]+ 414.17585 197.2
[M+K]+ 435.10519 196.8
[M+H-H2O]+ 379.13929 183.1
[M+HCOO]- 441.14023 199.7
[M+CH3COO]- 455.15588 216.7
[M+Na-2H]- 417.11670 189.8
[M]+ 396.14148 193.5
[M]- 396.14258 193.5
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.