CID 131752830

Biondnoid a

Structural Information

Molecular Formula
C30H26O13
SMILES
C1=CC(=CC=C1/C=C/C(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)O)O)O)O
InChI
InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+
InChIKey
GVLNXQDHAFPPFW-XCVCLJGOSA-N
Compound name
[6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-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

594.1373 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.144576 236.6
[M+Na]+ 617.126518 239.8
[M-H]- 593.130024 243.1
[M+NH4]+ 612.171123 231.9
[M+K]+ 633.100458 241.3
[M+H-H2O]+ 577.134560 224.4
[M+HCOO]- 639.135501 241.3
[M+CH3COO]- 653.151151 252.3
[M+Na-2H]- 615.111966 256.5
[M]+ 594.13675142 251.2
[M]- 594.13784858 251.2
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.