CID 157009861

Dillanoside

Structural Information

Molecular Formula
C24H22O10
SMILES
COC1=CC2=C(C=C1)C=CC3=C2C(=O)C4=C(C=C(C=C4O3)OC5C(C(C(C(O5)CO)O)O)O)O
InChI
InChI=1S/C24H22O10/c1-31-11-4-2-10-3-5-15-18(13(10)6-11)21(28)19-14(26)7-12(8-16(19)33-15)32-24-23(30)22(29)20(27)17(9-25)34-24/h2-8,17,20,22-27,29-30H,9H2,1H3
InChIKey
MNMKDPGRWWQDGI-UHFFFAOYSA-N
Compound name
11-hydroxy-2-methoxy-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[a]xanthen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.12858 206.7
[M+Na]+ 493.11052 215.0
[M-H]- 469.11402 212.1
[M+NH4]+ 488.15512 211.8
[M+K]+ 509.08446 214.8
[M+H-H2O]+ 453.11856 196.7
[M+HCOO]- 515.11950 215.0
[M+CH3COO]- 529.13515 214.2
[M+Na-2H]- 491.09597 209.8
[M]+ 470.12075 212.6
[M]- 470.12185 212.6
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.