CID 131752626

Cymorcin diglucoside

Structural Information

Molecular Formula
C22H34O12
SMILES
CC1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)C(C)C)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C22H34O12/c1-8(2)10-4-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)12(5-10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3
InChIKey
STVIMSVCYHRGIY-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[2-methyl-5-propan-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.20502 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.21230 214.1
[M+Na]+ 513.19424 219.5
[M+NH4]+ 508.23884 213.9
[M+K]+ 529.16818 221.6
[M-H]- 489.19774 214.6
[M+Na-2H]- 511.17969 208.8
[M]+ 490.20447 214.2
[M]- 490.20557 214.2
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.