CID 131751974

Trans-delta-viniferin 3''-glucoside

Structural Information

Molecular Formula
C34H32O11
SMILES
C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)/C=C/C4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O
InChI
InChI=1S/C34H32O11/c35-16-28-30(40)31(41)32(42)34(45-28)43-25-13-20(12-24(39)15-25)29-26-11-17(1-2-18-9-22(37)14-23(38)10-18)3-8-27(26)44-33(29)19-4-6-21(36)7-5-19/h1-15,28-42H,16H2/b2-1+
InChIKey
ZJIBDVBTKQSZQZ-OWOJBTEDSA-N
Compound name
2-[3-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.19446 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.20174 244.0
[M+Na]+ 639.18368 246.3
[M-H]- 615.18718 252.5
[M+NH4]+ 634.22828 240.0
[M+K]+ 655.15762 245.3
[M+H-H2O]+ 599.19172 233.7
[M+HCOO]- 661.19266 247.0
[M+CH3COO]- 675.20831 246.7
[M+Na-2H]- 637.16913 261.1
[M]+ 616.19391 243.4
[M]- 616.19501 243.4
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.