CID 182191

Pectolinarigenin 7-rhamnoside

Structural Information

Molecular Formula
C23H24O10
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)OC)O)O)O
InChI
InChI=1S/C23H24O10/c1-10-18(25)20(27)21(28)23(31-10)33-16-9-15-17(19(26)22(16)30-3)13(24)8-14(32-15)11-4-6-12(29-2)7-5-11/h4-10,18,20-21,23,25-28H,1-3H3/t10-,18-,20+,21+,23-/m0/s1
InChIKey
WKCLNKNXMSVMEW-GRMHDWRHSA-N
Compound name
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4R,5R,6S)-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

460.13693 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.14421 206.8
[M+Na]+ 483.12615 214.3
[M-H]- 459.12965 214.8
[M+NH4]+ 478.17075 211.1
[M+K]+ 499.10009 215.0
[M+H-H2O]+ 443.13419 196.8
[M+HCOO]- 505.13513 218.0
[M+CH3COO]- 519.15078 231.4
[M+Na-2H]- 481.11160 206.3
[M]+ 460.13638 212.8
[M]- 460.13748 212.8
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

No patent data available for this compound.