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]+ 597.16028 236.5
[M+Na]+ 619.14222 240.5
[M-H]- 595.14572 242.2
[M+NH4]+ 614.18682 231.7
[M+K]+ 635.11616 239.6
[M+H-H2O]+ 579.15026 224.9
[M+HCOO]- 641.15120 238.6
[M+CH3COO]- 655.16685 253.2
[M+Na-2H]- 617.12767 257.5
[M]+ 596.15245 248.9
[M]- 596.15355 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.