CID 74978214

Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside

Structural Information

Molecular Formula
C29H32O16
SMILES
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)OC(=O)C)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
InChI
InChI=1S/C29H32O16/c1-9-19(34)21(36)23(38)28(40-9)43-13-7-16(33)18-17(8-13)44-26(12-4-5-14(31)15(32)6-12)27(20(18)35)45-29-24(39)22(37)25(10(2)41-29)42-11(3)30/h4-10,19,21-25,28-29,31-34,36-39H,1-3H3
InChIKey
HXCHGMPJLNBHOE-UHFFFAOYSA-N
Compound name
[6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

636.169 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.17628 239.6
[M+Na]+ 659.15822 240.4
[M+NH4]+ 654.20282 239.8
[M+K]+ 675.13216 246.3
[M-H]- 635.16172 233.6
[M+Na-2H]- 657.14367 260.0
[M]+ 636.16845 237.9
[M]- 636.16955 237.9
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.