CID 162899125

(2s,3r,4s,5s,6r)-2-[[(2r,3s)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2h-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C22H26O11
SMILES
COC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI
InChI=1S/C22H26O11/c1-30-14-3-2-9(4-12(14)25)21-13(26)7-11-15(31-21)5-10(24)6-16(11)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-6,13,17-29H,7-8H2,1H3/t13-,17+,18+,19-,20+,21+,22+/m0/s1
InChIKey
GPVCBKWGXPUYOQ-GNWPIFJVSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.14752 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.15480 207.2
[M+Na]+ 489.13674 211.2
[M-H]- 465.14024 210.4
[M+NH4]+ 484.18134 209.0
[M+K]+ 505.11068 211.8
[M+H-H2O]+ 449.14478 198.1
[M+HCOO]- 511.14572 211.4
[M+CH3COO]- 525.16137 227.6
[M+Na-2H]- 487.12219 204.9
[M]+ 466.14697 207.5
[M]- 466.14807 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.