CID 157009766

6-[(2r,3s,4s,6s)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Structural Information

Molecular Formula
C21H18O10
SMILES
C[C@H]1C(=O)[C@H]([C@@H]([C@H](O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C21H18O10/c1-7-17(26)19(28)20(29)21(30-7)16-12(25)6-14-15(18(16)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,19-23,25,27-29H,1H3/t7-,19+,20-,21+/m0/s1
InChIKey
WDPQNSQNFBXQCI-IMQBRNHPSA-N
Compound name
6-[(2R,3S,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

430.09 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.09728 199.0
[M+Na]+ 453.07922 207.7
[M-H]- 429.08272 205.1
[M+NH4]+ 448.12382 203.4
[M+K]+ 469.05316 206.8
[M+H-H2O]+ 413.08726 190.1
[M+HCOO]- 475.08820 208.0
[M+CH3COO]- 489.10385 223.6
[M+Na-2H]- 451.06467 197.9
[M]+ 430.08945 200.9
[M]- 430.09055 200.9
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.