CID 131750986

6''-o-caffeoylastragalin

Structural Information

Molecular Formula
C30H26O14
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O)O
InChI
InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+
InChIKey
GZORMMCZSCNNCI-KRXBUXKQSA-N
Compound name
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.13226 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.13954 235.1
[M+Na]+ 633.12148 237.0
[M+NH4]+ 628.16608 235.9
[M+K]+ 649.09542 240.9
[M-H]- 609.12498 229.9
[M+Na-2H]- 631.10693 254.3
[M]+ 610.13171 234.0
[M]- 610.13281 234.0
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.