CID 44257654

3'-deoxyderhamnosylmaysin

Structural Information

Molecular Formula
C21H18O9
SMILES
CC1C(=O)[C@@H](C([C@H](O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O
InChI
InChI=1S/C21H18O9/c1-8-17(25)19(27)20(28)21(29-8)16-12(24)7-14-15(18(16)26)11(23)6-13(30-14)9-2-4-10(22)5-3-9/h2-8,19-22,24,26-28H,1H3/t8?,19-,20?,21+/m0/s1
InChIKey
FBACKRBXYOUJQQ-KOKJXYKHSA-N
Compound name
6-[(2R,4R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0951 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.102376 195.5
[M+Na]+ 437.084318 204.2
[M-H]- 413.087824 202.6
[M+NH4]+ 432.128923 201.1
[M+K]+ 453.058258 202.9
[M+H-H2O]+ 397.092360 186.6
[M+HCOO]- 459.093301 206.0
[M+CH3COO]- 473.108951 221.0
[M+Na-2H]- 435.069766 195.2
[M]+ 414.09455142 197.1
[M]- 414.09564858 197.1
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.