CID 74977829

5,7-dihydroxy-6-methoxyflavone 5-rhamnoside

Structural Information

Molecular Formula
C22H22O9
SMILES
CC1C(C(C(C(O1)OC2=C(C(=CC3=C2C(=O)C=C(O3)C4=CC=CC=C4)O)OC)O)O)O
InChI
InChI=1S/C22H22O9/c1-10-17(25)18(26)19(27)22(29-10)31-21-16-12(23)8-14(11-6-4-3-5-7-11)30-15(16)9-13(24)20(21)28-2/h3-10,17-19,22,24-27H,1-2H3
InChIKey
NNXFUYOQDUBSHH-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methoxy-2-phenyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.12637 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.133646 199.6
[M+Na]+ 453.115588 207.2
[M-H]- 429.119094 207.5
[M+NH4]+ 448.160193 205.1
[M+K]+ 469.089528 206.9
[M+H-H2O]+ 413.123630 190.0
[M+HCOO]- 475.124571 211.2
[M+CH3COO]- 489.140221 224.4
[M+Na-2H]- 451.101036 200.0
[M]+ 430.12582142 203.4
[M]- 430.12691858 203.4
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

No patent data available for this compound.