CID 14427423

Noricaritin

Structural Information

Molecular Formula
C20H20O7
SMILES
CC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C20H20O7/c1-20(2,26)8-7-12-13(22)9-14(23)15-16(24)17(25)18(27-19(12)15)10-3-5-11(21)6-4-10/h3-6,9,21-23,25-26H,7-8H2,1-2H3
InChIKey
CTGVBHDTGZUEJZ-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

822
Patents

372.1209 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 186.1
[M+Na]+ 395.11012 195.0
[M-H]- 371.11362 189.3
[M+NH4]+ 390.15472 195.2
[M+K]+ 411.08406 191.7
[M+H-H2O]+ 355.11816 179.0
[M+HCOO]- 417.11910 199.2
[M+CH3COO]- 431.13475 210.8
[M+Na-2H]- 393.09557 189.2
[M]+ 372.12035 189.4
[M]- 372.12145 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe