CID 75169766

3-glucosyl-2,3',4,4',6-pentahydroxybenzophenone

Structural Information

Molecular Formula
C19H20O11
SMILES
C1=CC(=C(C=C1C(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C19H20O11/c20-5-11-15(26)17(28)18(29)19(30-11)13-10(24)4-9(23)12(16(13)27)14(25)6-1-2-7(21)8(22)3-6/h1-4,11,15,17-24,26-29H,5H2
InChIKey
VYGJDASIWDWDAM-UHFFFAOYSA-N
Compound name
(3,4-dihydroxyphenyl)-[2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

424.10056 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10784 194.8
[M+Na]+ 447.08978 199.6
[M-H]- 423.09328 194.7
[M+NH4]+ 442.13438 197.3
[M+K]+ 463.06372 198.5
[M+H-H2O]+ 407.09782 186.8
[M+HCOO]- 469.09876 200.4
[M+CH3COO]- 483.11441 216.6
[M+Na-2H]- 445.07523 189.6
[M]+ 424.10001 192.4
[M]- 424.10111 192.4
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

patents stripe