CID 131752154

3-hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C21H30O11
SMILES
C/C=C/C1=CC(=C(C=C1)OC2C(C(C(C(O2)COC3C(C(C(C(O3)C)O)O)O)O)O)O)O
InChI
InChI=1S/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3-7,9,13-28H,8H2,1-2H3/b4-3+
InChIKey
ORYDHHXIZWIIQT-ONEGZZNKSA-N
Compound name
2-methyl-6-[[3,4,5-trihydroxy-6-[2-hydroxy-4-[(E)-prop-1-enyl]phenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1788 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18608 206.8
[M+Na]+ 481.16802 213.6
[M+NH4]+ 476.21262 207.6
[M+K]+ 497.14196 213.9
[M-H]- 457.17152 208.3
[M+Na-2H]- 479.15347 203.1
[M]+ 458.17825 207.5
[M]- 458.17935 207.5
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.