CID 76594575

Myricetin 7-rhamnoside

Structural Information

Molecular Formula
C21H20O12
SMILES
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O
InChI
InChI=1S/C21H20O12/c1-6-14(25)17(28)19(30)21(31-6)32-8-4-9(22)13-12(5-8)33-20(18(29)16(13)27)7-2-10(23)15(26)11(24)3-7/h2-6,14,17,19,21-26,28-30H,1H3
InChIKey
LPEPTRFUOKMJCH-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

464.0955 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.10278 206.1
[M+Na]+ 487.08472 213.2
[M-H]- 463.08822 209.7
[M+NH4]+ 482.12932 207.6
[M+K]+ 503.05866 214.0
[M+H-H2O]+ 447.09276 196.9
[M+HCOO]- 509.09370 211.9
[M+CH3COO]- 523.10935 228.3
[M+Na-2H]- 485.07017 204.1
[M]+ 464.09495 208.7
[M]- 464.09605 208.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe