CID 131751610

Resveratrol 4'-(6-galloylglucoside)

Structural Information

Molecular Formula
C27H26O12
SMILES
C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O
InChI
InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1-
InChIKey
HQQSMUBDNVIUPF-UPHRSURJSA-N
Compound name
[6-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.14246 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.14974 227.4
[M+Na]+ 565.13168 236.8
[M+NH4]+ 560.17628 227.3
[M+K]+ 581.10562 235.8
[M-H]- 541.13518 229.7
[M+Na-2H]- 563.11713 227.8
[M]+ 542.14191 228.7
[M]- 542.14301 228.7
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.