CID 131752268

Chebi:168627

Structural Information

Molecular Formula
C20H19O11
SMILES
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O)O)O
InChI
InChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17+,18-,20+/m0/s1
InChIKey
WIEYMFHXYNRELM-ZNWBIBPKSA-O
Compound name
5-[3-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxychromenylium-2-yl]benzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

195
Patents

435.09274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10002 197.0
[M+Na]+ 458.08196 209.0
[M+NH4]+ 453.12656 200.3
[M+K]+ 474.05590 211.3
[M-H]- 434.08546 201.4
[M+Na-2H]- 456.06741 196.9
[M]+ 435.09219 199.8
[M]- 435.09329 199.8
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