CID 131752176

Azaleatin 3-arabinoside

Structural Information

Molecular Formula
C21H20O11
SMILES
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(CO4)O)O)O)O
InChI
InChI=1S/C21H20O11/c1-29-13-5-9(22)6-14-15(13)17(27)20(32-21-18(28)16(26)12(25)7-30-21)19(31-14)8-2-3-10(23)11(24)4-8/h2-6,12,16,18,21-26,28H,7H2,1H3
InChIKey
YBUCFCOHYGARIM-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.10056 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.10784 200.7
[M+Na]+ 471.08978 207.7
[M-H]- 447.09328 206.3
[M+NH4]+ 466.13438 203.9
[M+K]+ 487.06372 208.3
[M+H-H2O]+ 431.09782 191.2
[M+HCOO]- 493.09876 209.7
[M+CH3COO]- 507.11441 225.1
[M+Na-2H]- 469.07523 200.7
[M]+ 448.10001 204.2
[M]- 448.10111 204.2
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.