CID 76401292

3',4',5'-trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C30H36O16
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C(=C5)OC)OC)OC)O)O)O)O)O)O)O
InChI
InChI=1S/C30H36O16/c1-11-22(33)24(35)26(37)29(43-11)42-10-20-23(34)25(36)27(38)30(46-20)44-13-7-14(31)21-15(32)9-16(45-17(21)8-13)12-5-18(39-2)28(41-4)19(6-12)40-3/h5-9,11,20,22-27,29-31,33-38H,10H2,1-4H3
InChIKey
QVXXLWMUTXHCGR-UHFFFAOYSA-N
Compound name
5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

652.2003 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.20758 245.6
[M+Na]+ 675.18952 246.1
[M+NH4]+ 670.23412 245.3
[M+K]+ 691.16346 251.7
[M-H]- 651.19302 239.2
[M+Na-2H]- 673.17497 264.8
[M]+ 652.19975 243.5
[M]- 652.20085 243.5
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.