CID 101316786

61252-85-5

Structural Information

Molecular Formula
C23H24O12
SMILES
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C23H24O12/c1-32-13-3-8(4-14(33-2)18(13)27)11-5-9(25)16-12(34-11)6-10(26)17(20(16)29)23-22(31)21(30)19(28)15(7-24)35-23/h3-6,15,19,21-24,26-31H,7H2,1-2H3/t15-,19-,21+,22-,23+/m1/s1
InChIKey
UERIKSDFHRCLRS-IBUWVLCJSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-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

492.12677 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.13405 213.9
[M+Na]+ 515.11599 220.5
[M-H]- 491.11949 218.4
[M+NH4]+ 510.16059 214.9
[M+K]+ 531.08993 221.7
[M+H-H2O]+ 475.12403 204.1
[M+HCOO]- 537.12497 220.5
[M+CH3COO]- 551.14062 235.3
[M+Na-2H]- 513.10144 211.3
[M]+ 492.12622 218.6
[M]- 492.12732 218.6
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.