CID 15559961

1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

Structural Information

Molecular Formula
C19H18O11
SMILES
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
InChI
InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2
InChIKey
CDYBOKJASDEORM-UHFFFAOYSA-N
Compound name
1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

175
Patents

422.0849 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09218 194.7
[M+Na]+ 445.07412 206.5
[M+NH4]+ 440.11872 197.2
[M+K]+ 461.04806 205.8
[M-H]- 421.07762 196.6
[M+Na-2H]- 443.05957 192.7
[M]+ 422.08435 196.5
[M]- 422.08545 196.5
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

No patent data available for this compound.