CID 131752868

3,5-dihydroxystilbene-2-carboxylic acid 3-o-beta-d-glucopyranoside

Structural Information

Molecular Formula
C21H22O9
SMILES
C1=CC=C(C=C1)/C=C/C2=C(C(=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O
InChI
InChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-14-9-13(23)8-12(16(14)20(27)28)7-6-11-4-2-1-3-5-11/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-6+/t15-,17-,18+,19-,21-/m1/s1
InChIKey
GQIUCJBQLDCVPS-BNVRZUOOSA-N
Compound name
4-hydroxy-2-[(E)-2-phenylethenyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

418.12637 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13365 197.1
[M+Na]+ 441.11559 206.6
[M+NH4]+ 436.16019 199.4
[M+K]+ 457.08953 204.6
[M-H]- 417.11909 198.8
[M+Na-2H]- 439.10104 198.2
[M]+ 418.12582 198.4
[M]- 418.12692 198.4
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

No patent data available for this compound.