PubChemLite - 3',4',5'-trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside] (C30H36O16)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	653.20758	247.8
[M+Na]+	675.18952	251.9
[M-H]-	651.19302	243.9
[M+NH4]+	670.23412	249.2
[M+K]+	691.16346	245.8
[M+H-H2O]+	635.19756	240.8
[M+HCOO]-	697.19850	251.0
[M+CH3COO]-	711.21415	254.8
[M+Na-2H]-	673.17497	271.0
[M]+	652.19975	257.4
[M]-	652.20085	257.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

653.20758

247.8

[M+Na]+

675.18952

251.9

[M-H]-

651.19302

243.9

[M+NH4]+

670.23412

249.2

[M+K]+

691.16346

245.8

[M+H-H2O]+

635.19756

240.8

[M+HCOO]-

697.19850

251.0

[M+CH3COO]-

711.21415

254.8

[M+Na-2H]-

673.17497

271.0

[M]+

652.19975

257.4

[M]-

652.20085

257.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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