CID 131752947

2-[(z)-3-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C23H34O14
SMILES
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)/C=C\COC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C23H34O14/c1-32-11-6-10(4-3-5-34-22-19(30)17(28)15(26)13(8-24)35-22)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(9-25)36-23/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3-
InChIKey
RYVGCUJETSKZDU-ARJAWSKDSA-N
Compound name
2-[(Z)-3-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.1949 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.202176 220.8
[M+Na]+ 557.184118 221.6
[M-H]- 533.187624 221.0
[M+NH4]+ 552.228723 218.1
[M+K]+ 573.158058 223.9
[M+H-H2O]+ 517.192160 211.3
[M+HCOO]- 579.193101 222.7
[M+CH3COO]- 593.208751 239.5
[M+Na-2H]- 555.169566 244.3
[M]+ 534.19435142 222.8
[M]- 534.19544858 222.8
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.