PubChemLite - 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one (C23H24O12)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3OC)O)O)C4=CC(=C(C=C4)O)OC)O)O)O

InChI

InChI=1S/C23H24O12/c1-8-15(27)17(29)18(30)23(33-8)35-22-16(28)14-11(25)7-12(26)20(32-3)21(14)34-19(22)9-4-5-10(24)13(6-9)31-2/h4-8,15,17-18,23-27,29-30H,1-3H3

InChIKey

CCEZJODARJJBDK-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-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]+	493.13405	213.9
[M+Na]+	515.11599	225.7
[M+NH4]+	510.16059	215.5
[M+K]+	531.08993	224.6
[M-H]-	491.11949	217.6
[M+Na-2H]-	513.10144	213.2
[M]+	492.12622	216.2
[M]-	492.12732	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.13405

213.9

[M+Na]+

515.11599

225.7

[M+NH4]+

510.16059

215.5

[M+K]+

531.08993

224.6

[M-H]-

491.11949

217.6

[M+Na-2H]-

513.10144

213.2

[M]+

492.12622

216.2

[M]-

492.12732

216.2

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

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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