CID 131752196

2''-o-p-coumaroylvitexin

Structural Information

Molecular Formula
C30H26O12
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O
InChI
InChI=1S/C30H26O12/c31-13-22-26(38)27(39)30(42-23(37)10-3-14-1-6-16(32)7-2-14)29(41-22)25-19(35)11-18(34)24-20(36)12-21(40-28(24)25)15-4-8-17(33)9-5-15/h1-12,22,26-27,29-35,38-39H,13H2/b10-3+
InChIKey
FJGOEBQRHWKKJH-XCVCLJGOSA-N
Compound name
[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

578.14246 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.14974 236.4
[M+Na]+ 601.13168 248.4
[M+NH4]+ 596.17628 237.1
[M+K]+ 617.10562 246.0
[M-H]- 577.13518 241.7
[M+Na-2H]- 599.11713 237.1
[M]+ 578.14191 239.2
[M]- 578.14301 239.2
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

patents stripe