CID 163103491

2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Structural Information

Molecular Formula
C24H26O11
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC
InChI
InChI=1S/C24H26O11/c1-31-12-5-4-10(6-14(12)32-2)13-7-11(26)18-16(34-13)8-15(33-3)19(21(18)28)24-23(30)22(29)20(27)17(9-25)35-24/h4-8,17,20,22-25,27-30H,9H2,1-3H3/t17-,20-,22+,23-,24+/m1/s1
InChIKey
BEOVASOPYVJANG-VYJJCVKJSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.14752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15480 214.3
[M+Na]+ 513.13674 221.2
[M-H]- 489.14024 221.0
[M+NH4]+ 508.18134 216.7
[M+K]+ 529.11068 222.3
[M+H-H2O]+ 473.14478 204.2
[M+HCOO]- 535.14572 223.7
[M+CH3COO]- 549.16137 236.8
[M+Na-2H]- 511.12219 212.6
[M]+ 490.14697 220.8
[M]- 490.14807 220.8
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.