CID 21721982

Tricin 7-[rhamnosyl-(1->2)-galacturonide]

Structural Information

Molecular Formula
C29H32O17
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C(=C5)OC)O)OC)O)C(=O)O)O)O)O)O)O
InChI
InChI=1S/C29H32O17/c1-9-19(32)21(34)24(37)28(42-9)46-26-23(36)22(35)25(27(38)39)45-29(26)43-11-6-12(30)18-13(31)8-14(44-15(18)7-11)10-4-16(40-2)20(33)17(5-10)41-3/h4-9,19,21-26,28-30,32-37H,1-3H3,(H,38,39)/t9-,19-,21+,22+,23-,24+,25-,26+,28-,29+/m0/s1
InChIKey
CFWKEIXHBVWGIW-NGRZJSKOSA-N
Compound name
(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

652.16394 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.17122 245.6
[M+Na]+ 675.15316 249.0
[M-H]- 651.15666 242.5
[M+NH4]+ 670.19776 247.1
[M+K]+ 691.12710 243.5
[M+H-H2O]+ 635.16120 238.5
[M+HCOO]- 697.16214 248.9
[M+CH3COO]- 711.17779 252.7
[M+Na-2H]- 673.13861 269.2
[M]+ 652.16339 256.3
[M]- 652.16449 256.3
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.