CID 131752789

3,3',4'-trihydroxyflavone 3-o-[a-l-rhamnopyranosyl-(1->2)[a-l-rhamnopyranosyl-(1->6)]-b-d-glucopyranoside]

Structural Information

Molecular Formula
C33H40O18
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O
InChI
InChI=1S/C33H40O18/c1-11-19(36)23(40)26(43)31(46-11)45-10-18-22(39)25(42)30(51-32-27(44)24(41)20(37)12(2)47-32)33(49-18)50-29-21(38)14-5-3-4-6-17(14)48-28(29)13-7-8-15(34)16(35)9-13/h3-9,11-12,18-20,22-27,30-37,39-44H,10H2,1-2H3
InChIKey
ZOLZRMBQJLBHSS-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

724.22144 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.22872 256.6
[M+Na]+ 747.21066 256.8
[M+NH4]+ 742.25526 256.6
[M+K]+ 763.18460 263.9
[M-H]- 723.21416 250.6
[M+Na-2H]- 745.19611 277.8
[M]+ 724.22089 254.9
[M]- 724.22199 254.9
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.