CID 49770802

5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(3r,4s,5r,6r)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]oxy]chromen-4-one

Structural Information

Molecular Formula
C25H26O16
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@H]([C@@H](O4)O)O)O)O)O)OC5[C@@H]([C@H]([C@H]([C@@H](O5)O)O)O)O)O
InChI
InChI=1S/C25H26O16/c26-8-3-1-7(2-4-8)20-21(39-25-19(34)15(30)17(32)23(36)41-25)13(28)12-10(27)5-9(6-11(12)38-20)37-24-18(33)14(29)16(31)22(35)40-24/h1-6,14-19,22-27,29-36H/t14-,15-,16+,17+,18+,19+,22+,23+,24?,25?/m0/s1
InChIKey
WVWPXJOZALRMQM-CHCVYKHWSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

582.1221 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.12938 229.9
[M+Na]+ 605.11132 233.4
[M-H]- 581.11482 225.2
[M+NH4]+ 600.15592 231.1
[M+K]+ 621.08526 230.4
[M+H-H2O]+ 565.11936 222.9
[M+HCOO]- 627.12030 233.2
[M+CH3COO]- 641.13595 237.4
[M+Na-2H]- 603.09677 252.6
[M]+ 582.12155 238.4
[M]- 582.12265 238.4
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.