CID 15755772

4???-o-??-(6???-trans-p-coumaroyl)-glucopyranosyl okanin

Structural Information

Molecular Formula
C30H28O13
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C(C=C3)C(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O)O)O
InChI
InChI=1S/C30H28O13/c31-17-6-1-15(2-7-17)5-12-24(35)41-14-23-27(38)28(39)29(40)30(43-23)42-22-11-8-18(25(36)26(22)37)19(32)9-3-16-4-10-20(33)21(34)13-16/h1-13,23,27-31,33-34,36-40H,14H2/b9-3+,12-5+/t23-,27-,28+,29-,30-/m1/s1
InChIKey
SJGXLSYEYLGFRT-SIAGYLGLSA-N
Compound name
[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.16028 235.1
[M+Na]+ 619.14222 235.8
[M-H]- 595.14572 238.1
[M+NH4]+ 614.18682 229.9
[M+K]+ 635.11616 235.7
[M+H-H2O]+ 579.15026 223.8
[M+HCOO]- 641.15120 239.3
[M+CH3COO]- 655.16685 249.7
[M+Na-2H]- 617.12767 253.1
[M]+ 596.15245 245.5
[M]- 596.15355 245.5
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.