PubChemLite - Galangin 3-[galactosyl-(1->4)-rhamnoside] (C27H30O14)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=CC=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O

InChI

InChI=1S/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3

InChIKey

OUUQNKHDCPSYJE-UHFFFAOYSA-N

Compound name

3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-phenylchromen-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]+	579.17088	233.7
[M+Na]+	601.15282	237.6
[M-H]-	577.15632	229.0
[M+NH4]+	596.19742	235.1
[M+K]+	617.12676	233.5
[M+H-H2O]+	561.16086	225.7
[M+HCOO]-	623.16180	237.1
[M+CH3COO]-	637.17745	241.2
[M+Na-2H]-	599.13827	256.4
[M]+	578.16305	243.5
[M]-	578.16415	243.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.17088

233.7

[M+Na]+

601.15282

237.6

[M-H]-

577.15632

229.0

[M+NH4]+

596.19742

235.1

[M+K]+

617.12676

233.5

[M+H-H2O]+

561.16086

225.7

[M+HCOO]-

623.16180

237.1

[M+CH3COO]-

637.17745

241.2

[M+Na-2H]-

599.13827

256.4

[M]+

578.16305

243.5

[M]-

578.16415

243.5

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

Galangin 3-[galactosyl-(1->4)-rhamnoside]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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