CID 101731480

Chembl5197944

Structural Information

Molecular Formula
C24H22O10
SMILES
COC1=C(OC2=C3C=COC3=C(C=C2C1=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC=C5
InChI
InChI=1S/C24H22O10/c1-30-23-16(26)13-9-14(32-24-19(29)18(28)17(27)15(10-25)33-24)22-12(7-8-31-22)21(13)34-20(23)11-5-3-2-4-6-11/h2-9,15,17-19,24-25,27-29H,10H2,1H3/t15-,17-,18+,19-,24-/m1/s1
InChIKey
ADILGNQVWRXLRO-COYHTZKBSA-N
Compound name
3-methoxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

470.1213 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.12858 206.0
[M+Na]+ 493.11052 214.3
[M-H]- 469.11402 216.0
[M+NH4]+ 488.15512 211.1
[M+K]+ 509.08446 215.0
[M+H-H2O]+ 453.11856 197.8
[M+HCOO]- 515.11950 217.8
[M+CH3COO]- 529.13515 214.9
[M+Na-2H]- 491.09597 207.3
[M]+ 470.12075 213.5
[M]- 470.12185 213.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.