PubChemLite - Eriodictyol 7-(6-trans-p-coumaroylglucoside) (C30H28O13)

Structural Information

Molecular Formula

SMILES

C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C5=CC(=C(C=C5)O)O

InChI

InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-4-7-18(32)19(33)9-15/h1-11,22,24,27-34,37-39H,12-13H2/b8-3+

InChIKey

OGVBUVNWHBXNFL-FPYGCLRLSA-N

Compound name

[6-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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]+	597.16028	237.9
[M+Na]+	619.14222	247.5
[M+NH4]+	614.18682	237.9
[M+K]+	635.11616	241.0
[M-H]-	595.14572	242.2
[M+Na-2H]-	617.12767	254.2
[M]+	596.15245	239.9
[M]-	596.15355	239.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

597.16028

237.9

[M+Na]+

619.14222

247.5

[M+NH4]+

614.18682

237.9

[M+K]+

635.11616

241.0

[M-H]-

595.14572

242.2

[M+Na-2H]-

617.12767

254.2

[M]+

596.15245

239.9

[M]-

596.15355

239.9

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

Eriodictyol 7-(6-trans-p-coumaroylglucoside)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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