CID 5745358

Bellidifoloside

Structural Information

Molecular Formula
C20H20O11
SMILES
COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-10(3-2-8(22)14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1
InChIKey
TYODMTITEULVMF-DIKOWXHZSA-N
Compound name
1,8-dihydroxy-3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.10056 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.10784 196.1
[M+Na]+ 459.08978 204.4
[M-H]- 435.09328 199.7
[M+NH4]+ 454.13438 201.2
[M+K]+ 475.06372 205.0
[M+H-H2O]+ 419.09782 187.4
[M+HCOO]- 481.09876 205.1
[M+CH3COO]- 495.11441 223.5
[M+Na-2H]- 457.07523 198.3
[M]+ 436.10001 202.0
[M]- 436.10111 202.0
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.