CID 15628143

Sonchuionoside c

Structural Information

Molecular Formula
C19H30O8
SMILES
CC1=C(C(CC(C1O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)/C=C/C(=O)C
InChI
InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+
InChIKey
BLQCWBCWZFDGBW-AATRIKPKSA-N
Compound name
(E)-4-[3-hydroxy-2,6,6-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.19406 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20134 189.7
[M+Na]+ 409.18328 196.4
[M+NH4]+ 404.22788 193.3
[M+K]+ 425.15722 193.5
[M-H]- 385.18678 188.9
[M+Na-2H]- 407.16873 188.2
[M]+ 386.19351 190.0
[M]- 386.19461 190.0
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