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 190.6
[M+Na]+ 419.13125 200.8
[M+NH4]+ 414.17585 193.8
[M+K]+ 435.10519 199.3
[M-H]- 395.13475 192.8
[M+Na-2H]- 417.11670 189.4
[M]+ 396.14148 192.3
[M]- 396.14258 192.3
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.