CID 85202062

Chebi:184645

Structural Information

Molecular Formula
C28H32O13
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=CC=C5)OC)C)O)O)O)O)O
InChI
InChI=1S/C28H32O13/c1-11-19(30)22(33)24(35)27(37-11)41-26-23(34)20(31)12(2)38-28(26)40-25-17(36-3)10-16-18(21(25)32)14(29)9-15(39-16)13-7-5-4-6-8-13/h4-12,19-20,22-24,26-28,30-35H,1-3H3
InChIKey
HKKXKZVCSZYRHK-UHFFFAOYSA-N
Compound name
6-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

576.18427 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.19155 237.4
[M+Na]+ 599.17349 241.1
[M-H]- 575.17699 245.7
[M+NH4]+ 594.21809 233.6
[M+K]+ 615.14743 244.9
[M+H-H2O]+ 559.18153 225.7
[M+HCOO]- 621.18247 239.8
[M+CH3COO]- 635.19812 254.4
[M+Na-2H]- 597.15894 259.9
[M]+ 576.18372 247.9
[M]- 576.18482 247.9
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.