CID 157009965

Apigenin 7-di-o-xyloside

Structural Information

Molecular Formula
C25H26O15
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C25H26O15/c26-9-3-1-8(2-4-9)13-7-12(28)15-11(27)5-10(6-14(15)37-13)36-23-20(33)17(30)21(34)25(39-23)40-24-19(32)16(29)18(31)22(35)38-24/h1-7,16-27,29-35H/t16-,17+,18-,19+,20+,21-,22-,23+,24-,25+/m0/s1
InChIKey
AYWNPQYSGVEBBX-DXIOFANKSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyoxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.1272 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.13448 227.3
[M+Na]+ 589.11642 228.0
[M+NH4]+ 584.16102 227.2
[M+K]+ 605.09036 233.8
[M-H]- 565.11992 220.7
[M+Na-2H]- 587.10187 246.0
[M]+ 566.12665 225.2
[M]- 566.12775 225.2
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.