CID 131752208

Naringenin 5-rhamnoside

Structural Information

Molecular Formula
C21H22O9
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=CC3=C2C(=O)C[C@H](O3)C4=CC=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3/t9-,14-,18-,19+,20+,21-/m0/s1
InChIKey
OVWZFLKQVPSRDZ-DUJSBPBCSA-N
Compound name
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

418.12637 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13365 196.3
[M+Na]+ 441.11559 207.8
[M+NH4]+ 436.16019 200.4
[M+K]+ 457.08953 205.2
[M-H]- 417.11909 201.3
[M+Na-2H]- 439.10104 197.1
[M]+ 418.12582 199.1
[M]- 418.12692 199.1
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