CID 131752463

Formononetin 7-(2-p-hydroxybenzoylglucoside)

Structural Information

Molecular Formula
C29H26O11
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)OC(=O)C5=CC=C(C=C5)O
InChI
InChI=1S/C29H26O11/c1-36-18-8-4-15(5-9-18)21-14-37-22-12-19(10-11-20(22)24(21)32)38-29-27(26(34)25(33)23(13-30)39-29)40-28(35)16-2-6-17(31)7-3-16/h2-12,14,23,25-27,29-31,33-34H,13H2,1H3
InChIKey
PDHVVKASGTXJHE-UHFFFAOYSA-N
Compound name
[4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl] 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

550.1475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.15478 229.0
[M+Na]+ 573.13672 242.7
[M+NH4]+ 568.18132 231.7
[M+K]+ 589.11066 238.7
[M-H]- 549.14022 236.3
[M+Na-2H]- 571.12217 232.7
[M]+ 550.14695 232.8
[M]- 550.14805 232.8
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.