CID 10995564

Eriodictyol 7-(6-trans-p-coumaroylglucoside)

Structural Information

Molecular Formula
C30H28O13
SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C5=CC(=C(C=C5)O)O
InChI
InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-4-7-18(32)19(33)9-15/h1-11,22,24,27-34,37-39H,12-13H2/b8-3+/t22-,24+,27+,28-,29+,30+/m0/s1
InChIKey
OGVBUVNWHBXNFL-KRYLVGRBSA-N
Compound name
[(2R,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

596.153 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.160276 236.5
[M+Na]+ 619.142218 240.5
[M-H]- 595.145724 242.2
[M+NH4]+ 614.186823 231.7
[M+K]+ 635.116158 239.6
[M+H-H2O]+ 579.150260 224.9
[M+HCOO]- 641.151201 238.6
[M+CH3COO]- 655.166851 253.2
[M+Na-2H]- 617.127666 257.5
[M]+ 596.15245142 248.9
[M]- 596.15354858 248.9
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.