CID 5281659

Norswertianolin

Structural Information

Molecular Formula
C19H18O11
SMILES
C1=CC(=C2C(=C1O)OC3=CC(=CC(=C3C2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)29-9-2-1-7(22)18-13(9)15(25)12-8(23)3-6(21)4-10(12)28-18/h1-4,11,14,16-17,19-24,26-27H,5H2/t11-,14-,16+,17-,19-/m1/s1
InChIKey
MYWLBRTZOYHDOU-FJMCMGCSSA-N
Compound name
1,3,5-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

52
Patents

422.0849 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09218 193.9
[M+Na]+ 445.07412 205.8
[M+NH4]+ 440.11872 196.7
[M+K]+ 461.04806 204.7
[M-H]- 421.07762 196.1
[M+Na-2H]- 443.05957 192.7
[M]+ 422.08435 195.9
[M]- 422.08545 195.9
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