CID 78161769

Chrysin 7-[rhamnosyl-(1->4)-glucoside]

Structural Information

Molecular Formula
C27H30O13
SMILES
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=CC=C5)O)CO)O)O)O
InChI
InChI=1S/C27H30O13/c1-11-20(31)21(32)23(34)26(36-11)40-25-18(10-28)39-27(24(35)22(25)33)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-9,11,18,20-29,31-35H,10H2,1H3
InChIKey
LFECMQHDADBFMC-UHFFFAOYSA-N
Compound name
7-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.16864 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.17592 231.2
[M+Na]+ 585.15786 241.4
[M+NH4]+ 580.20246 232.1
[M+K]+ 601.13180 237.1
[M-H]- 561.16136 237.4
[M+Na-2H]- 583.14331 249.0
[M]+ 562.16809 233.9
[M]- 562.16919 233.9
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.