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 250.7
[M+Na]+ 639.18368 262.3
[M+NH4]+ 634.22828 252.4
[M+K]+ 655.15762 248.3
[M-H]- 615.18718 258.3
[M+Na-2H]- 637.16913 256.9
[M]+ 616.19391 254.2
[M]- 616.19501 254.2
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.