CID 131751592

Rutaretin 9-rutinoside

Structural Information

Molecular Formula
C26H34O14
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C4C(=CC5=C3OC(C5)C(C)(C)O)C=CC(=O)O4)O)O)O)O)O)O
InChI
InChI=1S/C26H34O14/c1-9-15(28)17(30)19(32)24(36-9)35-8-12-16(29)18(31)20(33)25(37-12)40-23-21-10(4-5-14(27)39-21)6-11-7-13(26(2,3)34)38-22(11)23/h4-6,9,12-13,15-20,24-25,28-34H,7-8H2,1-3H3
InChIKey
BXZHQIFYFLLPME-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropan-2-yl)-9-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.1949 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.20218 228.1
[M+Na]+ 593.18412 228.6
[M+NH4]+ 588.22872 227.4
[M+K]+ 609.15806 234.5
[M-H]- 569.18762 220.8
[M+Na-2H]- 591.16957 241.9
[M]+ 570.19435 225.4
[M]- 570.19545 225.4
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.