CID 74977477

163345-99-1

Structural Information

Molecular Formula
C28H30O15
SMILES
CC(=O)OCC1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(CO4)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O
InChI
InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3
InChIKey
AIQCDEJOKQHKMO-UHFFFAOYSA-N
Compound name
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.15845 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.16573 233.8
[M+Na]+ 629.14767 234.6
[M+NH4]+ 624.19227 234.0
[M+K]+ 645.12161 240.4
[M-H]- 605.15117 227.6
[M+Na-2H]- 627.13312 253.7
[M]+ 606.15790 232.0
[M]- 606.15900 232.0
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.