CID 16747731

Kaempferol 3-o-alpha-l-(3-trans-p-coumaroyl-rhamnopyranoside)

Structural Information

Molecular Formula
C30H26O12
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)O
InChI
InChI=1S/C30H26O12/c1-14-24(36)28(41-22(35)11-4-15-2-7-17(31)8-3-15)26(38)30(39-14)42-29-25(37)23-20(34)12-19(33)13-21(23)40-27(29)16-5-9-18(32)10-6-16/h2-14,24,26,28,30-34,36,38H,1H3/b11-4+/t14-,24-,26+,28+,30-/m0/s1
InChIKey
DAIIZVGCRDFTIV-SRWXCESMSA-N
Compound name
[(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.14246 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.149736 235.3
[M+Na]+ 601.131678 239.5
[M-H]- 577.135184 243.1
[M+NH4]+ 596.176283 232.1
[M+K]+ 617.105618 240.4
[M+H-H2O]+ 561.139720 223.2
[M+HCOO]- 623.140661 241.4
[M+CH3COO]- 637.156311 251.0
[M+Na-2H]- 599.117126 231.5
[M]+ 578.14191142 238.3
[M]- 578.14300858 238.3
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.