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 207.9
[M+Na]+ 481.16802 210.8
[M-H]- 457.17152 209.7
[M+NH4]+ 476.21262 209.3
[M+K]+ 497.14196 210.7
[M+H-H2O]+ 441.17606 199.5
[M+HCOO]- 503.17700 211.7
[M+CH3COO]- 517.19265 225.6
[M+Na-2H]- 479.15347 202.2
[M]+ 458.17825 206.8
[M]- 458.17935 206.8
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.