CID 14162678

7-hydroxy-3-methoxy-1-primeverosyloxyxanthone

Structural Information

Molecular Formula
C25H28O14
SMILES
COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C(=O)C5=C(O2)C=CC(=C5)O
InChI
InChI=1S/C25H28O14/c1-34-10-5-14-17(18(28)11-4-9(26)2-3-13(11)37-14)15(6-10)38-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)12(27)7-35-24/h2-6,12,16,19-27,29-33H,7-8H2,1H3
InChIKey
MWZPGBNWDUPMFG-UHFFFAOYSA-N
Compound name
7-hydroxy-3-methoxy-1-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.1479 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.15518 226.8
[M+Na]+ 575.13712 227.6
[M+NH4]+ 570.18172 226.5
[M+K]+ 591.11106 233.1
[M-H]- 551.14062 220.2
[M+Na-2H]- 573.12257 244.3
[M]+ 552.14735 224.5
[M]- 552.14845 224.5
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.